禾草敌 | 2212-67-1

• 物质功能分类: 化学农药原药 - 除草剂 - 氨基甲酸酯类除草剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 中文名称: 禾草敌
• 中文别名: 禾草特；禾大壮；N,N-六甲撑硫赶氨基甲酸乙酯；环草丹；草达灭；禾草知；杀克尔；环草丹/禾；N,N-六亚甲基硫代氨基甲酸-S-乙酯
• 英文名称: Molinate
• 英文别名: S-ethyl N-hexamethylenethiocarbamate；S-ethyl azepane-1-carbothioate
• CAS: 2212-67-1
• 化学式: C₉H₁₇NOS
• mdl: MFCD00055352
• 分子量: 187.306
• InChiKey: DEDOPGXGGQYYMW-UHFFFAOYSA-N

物化性质

• 熔点：
  <25 °C
• 沸点：
  202°C (10 mmHg)
• 密度：
  1.06
• 闪点：
  100 °C
• 溶解度：
  可溶于氯仿（少许）、乙酸乙酯（少许）、甲醇（少许）
• LogP：
  3.210
• 物理描述：
  Molinate is a clear liquid with aromatic odor. Non corrosive. Used as an herbicide.
• 颜色/状态：
  Clear liquid
• 气味：
  Aromatic
• 蒸汽压力：
  5.6X10-3 mm Hg @ 25 °C
• 亨利常数：
  4.10e-06 atm-m3/mole
• 稳定性/保质期：
  在常温常压下，该物质保持稳定。
• 分解：
  When heated to decomposition it emits very toxic fumes of /nitrogen oxides and sulfur oxides/.
• 腐蚀性：
  Noncorrosive
• 折光率：
  INDEX OF REFRACTION: 1.5124 @ 30 °C/D
• 碰撞截面：
  138.42 Ų [M+H]+
• 保留指数：
  1539;1550.3;1535.9;1503.9;1524.8;1524.7;1531.8

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  2

ADMET

代谢

... 三天后用链标记的莫利纳特处理的水稻芽收获显示... 16种放射性代谢物。其中7个放射性斑点与氨基酸相符... 5种代谢物是有机酸，其中2种是... 乳酸和乙二酸。

... RICE SHOOTS HARVESTED 3 DAYS AFTER TREATMENT WITH CHAIN-LABELED MOLINATE SHOWED ... 16 RADIOACTIVE METABOLITES. 7 OF THESE RADIOACTIVE SPOTS COINCIDED WITH AMINO ACIDS ... 5 METABOLITES WERE ORG ACIDS, 2 OF WHICH WERE ... LACTIC & GLYCOLIC ACID.

来源:Hazardous Substances Data Bank (HSDB)

代谢

在日本鲤鱼中，检测到的主要莫林酸代谢物包括莫林酸亚砜、3-羟基莫林酸、4-羟基莫林酸、4-酮莫林酸和α-酮己二胺。

IN JAPANESE CARP, MAJOR MOLINATE METABOLITES DETECTED WERE MOLINATE SULFOXIDE, 3-HYDROXYMOLINATE, 4-HYDROXYMOLINATE, 4-KETOMOLINATE, & ALPHA KETO HEXAMETHYLENEAMINE.

来源:Hazardous Substances Data Bank (HSDB)

代谢

MOLINATE 代谢物 MOLINATE SULFOXIDE 在体外被日本鲤鱼肝细胞溶浆部分裂解。从处理过的鲤鱼胆汁中回收了 MOLINATE 巯基尿酸。

MOLINATE METABOLITE MOLINATE SULFOXIDE WAS CLEAVED IN VITRO BY JAPANESE CARP LIVER CYTOSOL FRACTION. MOLINATE MERCAPTURATE WAS RECOVERED FROM BILE OF MOLINATE TREATED CARP.

来源:Hazardous Substances Data Bank (HSDB)

代谢

(14)C Molinate ... 被 大鼠 代谢，主要是转化成亚砜，然后进一步转化为巯基尿酸衍生物。环羟基化，主要发生在3号和4号位置，随后是葡萄糖醛酸化以及C-N键的断裂生成亚酰胺，这些过程也被观察到。

(14)C Molinate ... was metabolized by rats, primarily to the sulfoxide, and thence to the mercapturic acid deriv. Ring hydroxylation, mainly at the 3- and 4- positions, followed by glucuronidation and cleavage of the C--N bond to yieldthe imide, were also observed.

来源:Hazardous Substances Data Bank (HSDB)

代谢

一般来说，硫代氨基甲酸盐可以通过皮肤、粘膜以及呼吸和消化系统被吸收。它们主要通过呼出气体和尿液迅速排出体外。哺乳动物中硫代氨基甲酸盐的代谢有两个主要途径。一个是通过亚磺酰化并与谷胱甘肽结合。结合产物随后裂解为半胱氨酸衍生物，该衍生物被代谢为巯基尿酸化合物。第二个途径是硫氧化为亚磺酰化物，然后进一步氧化为磺酰化物，或者经羟基化转变为进入碳代谢池的化合物。

As a general rule, thiocarbamates can be absorbed via the skin, mucous membranes, and the respiratory and gastrointestinal tracts. They are eliminated quite rapidly, mainly via expired air and urine. Two major pathways exist for the metabolism of thiocarbamates in mammals. One is via sulfoxidation and conjugation with glutathione. The conjugation product is then cleaved to a cysteine derivative, which is metabolized to a mercapturic acid compound. The second route is oxidation of the sulfur to a sulfoxide, which is then oxidized to a sulfone, or hydroxylation to compounds that enter the carbon metabolic pool.

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

一些硫代氨基甲酸盐（如EPTC、 Molinate、 Pebulate和Cycloate）具有共同的毒性机制，即抑制乙酰胆碱酯酶。乙酰胆碱酯酶抑制剂抑制乙酰胆碱酯酶的作用。由于乙酰胆碱酯酶在神经和肌肉接头处释放的神经递质乙酰胆碱的分解中发挥重要作用，干扰乙酰胆碱酯酶作用的化学物质是强效的神经毒素，即使在低剂量下也会导致过度流涎和流泪。在更高剂量的暴露下，头痛、流涎、恶心、呕吐、腹痛和腹泻通常是显著的症状。乙酰胆碱酯酶抑制的结果是乙酰胆碱积聚并持续发挥作用，使得任何神经冲动都被连续传递，肌肉收缩不会停止。

Some thiocarbamates (EPTC, Molinate, Pebulate, and Cycloate) share a common mechanism of toxicity, i.e. the inhibition of acetylcholinesterase. An acetylcholinesterase inhibitor suppresses the action of acetylcholine esterase. Because of its essential function, chemicals that interfere with the action of acetylcholine esterase are potent neurotoxins, causing excessive salivation and eye-watering in low doses. Headache, salivation, nausea, vomiting, abdominal pain and diarrhea are often prominent at higher levels of exposure. Acetylcholine esterase breaks down the neurotransmitter acetylcholine, which is released at nerve and muscle junctions, in order to allow the muscle or organ to relax. The result of acetylcholine esterase inhibition is that acetylcholine builds up and continues to act so that any nerve impulses are continually transmitted and muscle contractions do not stop.

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌性证据

癌症分类：对人类致癌性的暗示性证据

Cancer Classification: Suggestive Evidence of Carcinogenicity to Humans

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌物分类

对人类无致癌性（未列入国际癌症研究机构IARC清单）。

No indication of carcinogenicity to humans (not listed by IARC).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

关于硫代氨基甲酸酯对人类影响的数据很稀缺。然而，已经观察到农业工作者中出现了刺激和致敏的案例。一些硫代氨基甲酸酯，例如 Molinate，对精子形态有影响，并因此影响繁殖。但是，没有观察到致畸效应。诱变性研究的结果显示，含有二氯丙烯基团的硫代氨基甲酸酯具有高度诱变性。一些硫代氨基甲酸酯是乙酰胆碱酯酶抑制剂。急性暴露于胆碱酯酶抑制剂可能导致胆碱能危象，特点是严重的恶心/呕吐、流涎、出汗、心动过缓、低血压、崩溃和抽搐。肌肉无力逐渐增加是一种可能性，如果呼吸肌肉受到影响，可能会导致死亡。

Data concerning the effects of thiocarbamates on man are scarce. However, cases of irritation and sensitization have been observed among agricultural workers. Some thiocarbamates, e.g., molinate, have an effect on sperm morphology and, consequently, on reproduction. However, no teratogenic effects have been observed. The results of mutagenicity studies have shown that thiocarbamates containing dichloroallyl groups are highly mutagenic. Some thiocarbamates are acetylcholine esterase inhibitors. Acute exposure to cholinesterase inhibitors can cause a cholinergic crisis characterized by severe nausea/vomiting, salivation, sweating, bradycardia, hypotension, collapse, and convulsions. Increasing muscle weakness is a possibility and may result in death if respiratory muscles are involved.

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

吸入（L793）；口服（L793）；皮肤给药（L793）

Inhalation (L793) ; oral (L793); dermal (L793)

来源:Toxin and Toxin Target Database (T3DB)

吸收、分配和排泄

它在大鼠体内迅速代谢，大约50%转化为二氧化碳，25%通过尿液排出，3天内7到20%通过粪便排出。

IT IS RAPIDLY METABOLIZED BY RATS, ABOUT 50% TO CARBON DIOXIDE, 25% EXCRETED IN THE URINE AND 7 TO 20% IN THE FECES IN 3 DAYS.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

MOLINATE IS RAPIDLY TAKEN UP BY ROOTS & TRANSLOCATED UPWARD TO LEAVES OF PLANTS. 莫林酸（MOLINATE）被根部迅速吸收并向上输送到植物的叶片中。

MOLINATE IS RAPIDLY TAKEN UP BY ROOTS & TRANSLOCATED UPWARD TO LEAVES OF PLANTS.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

未通过皮肤吸收。

... Not absorbed percutaneously.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

大鼠排出标记有(14)C的 molinate 的过程在48小时内完成了95-96%。大约88%通过尿液排出...，11%通过粪便排出。在呼出的空气中发现了不到1%的剂量。... 在给药后1天，组织中的水平大约为13.8%，7天后为3.7%，

Excretion of ring labeled (14)C molinate by rats is 95-96% complete in 48 hr. Approximately 88% was in the urine ... and 11% in the feces. Less than 1% of the dose was found in the expired air. ... Tissue levels were approximately 13.8% of the administered dose after 1 day and 3.7% after 7 days,

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 危险等级：
  6.1(b)
• 危险品标志：
  Xn,T,N
• 安全说明：
  S36/37,S46,S60,S61
• 危险类别码：
  R20/22
• WGK Germany：
  3
• 危险品运输编号：
  2902
• RTECS号：
  CM2625000
• 海关编码：
  2933990017
• 包装等级：
  III
• 危险类别：
  6.1(b)
• 储存条件：
  在室温下至少稳定两年。

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Molinate
CAS-No. : 2212-67-1
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Carcinogenicity (Category 2)
Reproductive toxicity (Category 2)
Acute toxicity, Inhalation (Category 4)
Acute toxicity, Oral (Category 4)
Specific target organ toxicity - repeated exposure (Category 2)
Skin sensitization (Category 1)
Acute aquatic toxicity (Category 1)
Chronic aquatic toxicity (Category 1)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Limited evidence of a carcinogenic effect. Possible risk of impaired fertility. Harmful by inhalation and if
swallowed. Harmful: danger of serious damage to health by prolonged exposure if swallowed. May cause
sensitization by skin contact. Very toxic to aquatic organisms, may cause long-term adverse effects in the
aquatic environment.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H302 Harmful if swallowed.
H317 May cause an allergic skin reaction.
H332 Harmful if inhaled.
H351 Suspected of causing cancer.
H361f Suspected of damaging fertility.
H373 May cause damage to organs through prolonged or repeated exposure.
H410 Very toxic to aquatic life with long lasting effects.
Precautionary statement(s)
P273 Avoid release to the environment.
P280 Wear protective gloves.
P501 Dispose of contents/ container to an approved waste disposal plant.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R20/22 Harmful by inhalation and if swallowed.
R40 Limited evidence of a carcinogenic effect.
R43 May cause sensitization by skin contact.
R48/22 Harmful: danger of serious damage to health by prolonged exposure if
swallowed.
R62 Possible risk of impaired fertility.
R50/53 Very toxic to aquatic organisms, may cause long-term adverse effects in
the aquatic environment.
S-phrase(s)
S36/37 Wear suitable protective clothing and gloves.
S46 If swallowed, seek medical advice immediately and show this container or
label.
S60 This material and its container must be disposed of as hazardous waste.
S61 Avoid release to the environment. Refer to special instructions/ Safety
data sheets.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C9H17NOS
Molecular Weight : 187,3 g/mol
Component Concentration
Molinate
CAS-No. 2212-67-1 -
EC-No. 218-661-0
Index-No. 613-051-00-4

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
Diarrhoea, Weakness, Discomfort of the:, Stomach, Conjunctivitis.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx), Sulphur oxides
Carbon oxides, nitrogen oxides (NOx), Sulphur oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Evacuate personnel to safe areas.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: liquid
Colour: clear
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and 355 °C at 1.013 hPa
boiling range
g) Flash point 100 °C - closed cup
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density 1,060 g/cm3
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
LD50 Oral - rat - 369 mg/kg
LD50 Dermal - rabbit - 3.536 mg/kg
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
May cause allergic skin reaction.
Germ cell mutagenicity
Genotoxicity in vitro - Human - lymphocyte
Cytogenetic analysis
Genotoxicity in vivo - mouse - Oral
Micronucleus test
Carcinogenicity
Limited evidence of carcinogenicity in animal studies
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
Suspected human reproductive toxicant
Reproductive toxicity - rat - Inhalation
Paternal Effects: Spermatogenesis (including genetic material, sperm morphology,motility, and count).
Reproductive toxicity - rat - Oral
Paternal Effects: Spermatogenesis (including genetic material, sperm morphology,motility, and count).
Effects on Fertility: Male fertility index (e.g., # males impregnating females per # males exposed to fertile
nonpregnant females). Effects on Newborn: Viability index (e.g., # alive at day 4 per # born alive).
Reproductive toxicity - rat - Oral
Effects on Fertility: Male fertility index (e.g., # males impregnating females per # males exposed to fertile
nonpregnant females). Effects on Fertility: Post-implantation mortality (e.g., dead and/or resorbed implants
per total number of implants).
Developmental Toxicity - mouse - Intraperitoneal
Specific Developmental Abnormalities: Urogenital system.
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation Harmful if inhaled. May cause respiratory tract irritation.
Ingestion Harmful if swallowed.
Skin
May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Signs and Symptoms of Exposure
Diarrhoea, Weakness, Discomfort of the:, Stomach, Conjunctivitis.
Additional Information
RTECS: CM2625000

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Section 12. ECOLOGICAL INFORMATION
Toxicity
Toxicity to fish LC50 - Cyprinodon variegatus (sheepshead minnow) - 12 - 17 mg/l - 96,0 h
Toxicity to daphnia and EC50 - Daphnia magna (Water flea) - 3,2 - 32,0 mg/l - 48 h
other aquatic
invertebrates
Toxicity to algae EC50 - Chlorella vulgaris (Fresh water algae) - 17,6 - 39,0 mg/l - 96 h
Persistence and degradability
Bioaccumulative potential
Bioaccumulation Ictalurus punctatus - 13 d -1,33 µg/l
Bioconcentration factor (BCF): 25 - 31
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
Very toxic to aquatic life.

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: 3082 IMDG: 3082 IATA: 3082
UN proper shipping name
ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (Molinate)
IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (Molinate)
IATA: Environmentally hazardous substance, liquid, n.o.s. (Molinate)
Transport hazard class(es)
ADR/RID: 9 IMDG: 9 IATA: 9
Packaging group
ADR/RID: III IMDG: III IATA: III
Environmental hazards
ADR/RID: yes IMDG Marine pollutant: yes IATA: yes
Special precautions for user
Further information
EHS-Mark required (ADR 2.2.9.1.10, IMDG code 2.10.3) for single packagings and combination
packagings containing inner packagings with Dangerous Goods > 5L for liquids or > 5kg for solids.

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

毒性

雄性大鼠急性经口LD₅₀为501～720mg/kg（原药为468～705mg/kg），小鼠急性经口LD₅₀为795mg/kg；大鼠急性经皮LD₅₀>1200mg/kg，家兔急性经皮LD₅₀>4600mg/kg。大鼠和犬分别以每天8mg/kg和30mg/kg饲喂3个月，未见中毒症状。大鼠2年饲喂实验的LD₅₀为369毫克/公斤，小鼠为530毫克/公斤。此化合物可燃，燃烧时会生成有毒氮氧化物和硫氧化物气体。

可燃性危险特性

库房应保持通风、低温且干燥，并与食品原料分开储运；使用干粉、泡沫或砂土灭火。

灭火剂

使用干粉、泡沫或砂土进行灭火。

急性毒性分级

高毒

生产方法

氯甲酸乙酯的制备

• 在20～30℃冷却条件下，将光气通入乙硫醇和催化剂混合液中。
• 反应结束后用空气驱除过量的光气，并进行洗涤、干燥及蒸馏等步骤。

六次甲基亚胺的合成

• 使用氢气与己内酰胺在加氢催化剂下反应制备，转化率97%～98%，产率为98%。

禾草敌的合成

• 将氢氧化钠溶液与六次甲基亚胺混合后加入氯甲酸硫乙酯。
• 反应结束后进行分离、洗涤、干燥及浓缩等步骤，最终得到产物。

类别

农药

急性毒性

口服：大鼠 LD₅₀: 369 毫克/公斤；小鼠 LD₅₀: 530 毫克/公斤

可燃性危险特性

燃烧时会生成有毒氮氧化物和硫氧化物气体。

储运特性

库房应通风、低温干燥，并与食品原料分开储运。

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  1-吡咯烷磺酰胺,N-苯基-	1H-Azepine-1-carbothioic acid, hexahydro-4-oxo-, S-ethyl ester	70874-92-9	C9H15NO2S	201.29
  ——	1H-Azepine-1-carbothioic acid, hexahydro-4-hydroxy-, S-ethyl ester	66747-12-4	C9H17NO2S	203.3
  六氢-1H-氮杂卓-1-硫代羧酸	1H-Azepine-1-carbothioic acid, hexahydro-	53563-24-9	C7H13NOS	159.25
  ——	S-ethyl hexahydro-1H-azepine-1-carbothioate S,S-dioxide	54404-54-5	C9H17NO3S	219.305

反应信息

• 作为反应物：
  描述：

  禾草敌 在 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 28.0h， 生成 S-(hexahydro-1H-azepine-1-carbonyl)cysteine
  参考文献：
  名称：

  Identification of a S-Hexahydro-1H-azepine-1-carbonyl Adduct Produced by Molinate on Rat Hemoglobin β₂ and β₃ Chains in Vivo

  摘要：

  Molinate is a thiocarbamate herbicide used in the rice industry for over 25 years, and regulatory reports have shown that administration of molinate results in reproductive toxicity in male rats. Previous in vitro studies indicate that molinate undergoes oxidative metabolism, forming reactive electrophilic intermediates capable of undergoing nucleophilic addition by protein nucleophiles. On the basis of in vitro studies, carbamylation of an active site serine residue in Hydrolase A has been proposed to be the mechanism responsible for the observed testicular toxicity. The experiments presented here utilize hemoglobin to characterize covalent protein modifications produced in vivo by molinate. Rats were dosed intraperitoneally with molinate as a function of exposure duration, Examination of globin from molinate-treated rats by HPLC demonstrated a new peak in the isolated samples and, when collected and analyzed using MALDI-TOF MS, revealed a 126 Da increase in mass relative to the native beta(3) chain. Digestion of the globin using Glu-C and analysis by MALDI-TOF MS revealed two modified peptide fragments at m/z 2743 and 4985 consistent with a 126 Da increase to peptide fragments [122-146] and [102-146] in the unmodified beta(2) and beta3 chains of globin. Using selected reaction monitoring LC/MS/MS, S-hexahydro-1H-azepine-1-carbonyl cysteine HHAC-Cys) was identified in the globin hydrolysates isolated from the molinate-treated rats, but not in the control samples, and the quantity of adduct exhibited a cumulative dose response. These experiments demonstrate the ability of molinate to covalently modify proteins in vivo in a dose dependent manner. For hemoglobin this modification was a carbamylation at Cys-125 similar to the modification produced by disulfiram and NIV-diethyldithiocarbamate. The ability of molinate to covalently modify cysteine residues provides a potential mechanism to account for enzyme inhibition following molinate exposure and suggests that enzymes with cysteine residues in their active site may be inhibited by molinate.

  DOI：

  10.1021/tx015564a
• 作为产物：
  描述：

  环己亚胺 在 potassium carbonate 、 sulfur 作用下， 以 二甲基亚砜 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 6.0h， 生成 禾草敌
  参考文献：
  名称：

  通过一氧化碳和硫将胺羰基化来实际合成S-烷基硫代氨基甲酸酯除草剂

  摘要：

  已经开发了胺与一氧化碳和硫的工业和经济羰基化，以合成硫代氨基甲酸酯的S-烷基除草剂。在碳酸钾和DMSO溶剂存在下，在温和的条件下（1 atm，20°C）由胺，一氧化碳，硫和烷基卤化物以优异的收率合成S-烷基硫代氨基甲酸酯，例如硫代苯甲酸酯和邻苯甲酸酯（除草剂） 。

  DOI：

  10.1016/j.tet.2004.01.060

文献信息

• Alkyl 1-Chloroalkyl Carbonates: Reagents for the Synthesis of Carbamates and Protection of Amino Groups
  作者：Gérard Barcelo、Jean-Pierre Senet、Gérard Sennyey、Jean Bensoam、Albert Loffet

  DOI：10.1055/s-1986-31724

  日期：——

  The synthesis of 1-chloroalkyl carbonates and their reaction with various type of amines are described. This reaction is useful for the synthesis of carbamate pesticides and for the protection of various amino groups, including amino acids.

  描述了1-氯代烷基碳酸酯的合成及其与各种类型胺的反应。这一反应对于合成氨基甲酸酯类农药和保护包括氨基酸在内的各种氨基团具有重要作用。
• [EN] ACC INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE L'ACC ET UTILISATIONS ASSOCIÉES
  申请人：GILEAD APOLLO LLC

  公开号：WO2017075056A1

  公开（公告）日：2017-05-04

  The present invention provides compounds I and II useful as inhibitors of Acetyl CoA Carboxylase (ACC), compositions thereof, and methods of using the same.

  本发明提供了化合物I和II，这些化合物可用作乙酰辅酶A羧化酶（ACC）的抑制剂，以及它们的组合物和使用方法。
• [EN] 3-[(HYDRAZONO)METHYL]-N-(TETRAZOL-5-YL)-BENZAMIDE AND 3-[(HYDRAZONO)METHYL]-N-(1,3,4-OXADIAZOL-2-YL)-BENZAMIDE DERIVATIVES AS HERBICIDES<br/>[FR] DÉRIVÉS DE 3-[(HYDRAZONO))MÉTHYL]-N-(TÉTRAZOL-5-YL)-BENZAMIDE ET DE 3-[(HYDRAZONO)MÉTHYL]-N-(1,3,4-OXADIAZOL-2-YL)-BENZAMIDE UTILISÉS EN TANT QU'HERBICIDES
  申请人：SYNGENTA CROP PROTECTION AG

  公开号：WO2021013969A1

  公开（公告）日：2021-01-28

  The present invention related to compounds of Formula (I): or an agronomically acceptable salt thereof, wherein Q, R2, R3, R4, R5 and R6 are as described herein. The invention further relates to compositions comprising said compounds, to methods of controlling weeds using said compositions, and to the use of compounds of Formula (I) as a herbicide.

  本发明涉及以下式（I）的化合物或其农业上可接受的盐，其中Q、R2、R3、R4、R5和R6如本文所述。该发明还涉及包含所述化合物的组合物，使用这些组合物控制杂草的方法，以及将式（I）的化合物用作除草剂的用途。
• [EN] INSECTICIDAL TRIAZINONE DERIVATIVES<br/>[FR] DÉRIVÉS DE TRIAZINONE INSECTICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2013079350A1

  公开（公告）日：2013-06-06

  Compounds of the formula (I) or (I'), wherein the substituents are as defined in claim 1, are useful as pesticides.

  式(I)或(I')的化合物，其中取代基如权利要求1所定义的那样，可用作杀虫剂。
• N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES
  申请人：Winzenberg Norman Kevin

  公开号：US20070238700A1

  公开（公告）日：2007-10-11

  Novel N-phenyl-1,1,1-trifluoromethanesulfonamide compounds useful for controlling endo and/or ectoparasites in the environment are provided, together with methods of making the same, and methods of using the inventive compounds to treat parasite infestations in vivo and ex vivo.

  提供了一种用于控制环境中内外寄生虫的新型N-苯基-1,1,1-三氟甲磺酰胺化合物，以及制备这些化合物的方法，以及利用这些创新化合物治疗体内和体外寄生虫感染的方法。

表征谱图