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乐杀螨 | 485-31-4

中文名称
乐杀螨
中文别名
2-仲丁基-4,6-二硝基苯基-3-甲基-丁烯2-酸酯;2-仲丁基-4,6-二硝基苯基-3-甲基丁烯酸酯;2-仲丁基-4,6-二硝基苯基-3,3-二甲基丙烯酸酯
英文名称
binapacryl
英文别名
2-sec.-butyl-4,6-dinitrophenyl-3-methyl-butenoate [Binapacryl];Acricid;4,6-dinitro-2-sec.-butylphenyl 3,3-dimethylacrylate;2-sec-butyl-4,6-dinitrophenyl 3,3-dimethylacrylate;2,4-dinitro-6-sec-butylphenyldimethyl-acrylate;(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate
乐杀螨化学式
CAS
485-31-4
化学式
C15H18N2O6
mdl
——
分子量
322.318
InChiKey
ZRDUSMYWDRPZRM-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    68-69℃
  • 沸点:
    460.94°C (rough estimate)
  • 密度:
    1.238
  • 物理描述:
    COLOURLESS CRYSTALLINE POWDER.
  • 颜色/状态:
    COLORLESS CRYSTALLINE POWDER
  • 气味:
    Faint aromatic odor
  • 溶解度:
    3.10e-06 M
  • 蒸汽压力:
    13 mPa at 60 °C
  • 稳定性/保质期:
    按规格使用和贮存,不会发生分解,避免与氧化物接触。
  • 保留指数:
    2200;2195.3;2204.3

计算性质

  • 辛醇/水分配系数(LogP):
    4.6
  • 重原子数:
    23
  • 可旋转键数:
    5
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.4
  • 拓扑面积:
    118
  • 氢给体数:
    0
  • 氢受体数:
    6

ADMET

代谢
当口服给予豚鼠时,这种化合物会在血液中产生.../2-秒-丁基-4,6-二硝基苯酚/。
WHEN ADMINISTERED ORALLY TO GUINEA PIGS, THIS COMPOUND GIVES RISE TO ... /2-SEC-BUTYL-4,6-DINITROPHENOL/ IN BLOOD.
来源:Hazardous Substances Data Bank (HSDB)
代谢
在给予binapacryl口服剂量后,兔子和老鼠的尿液中都含有狄诺硒的丁基侧链的氧化产物,包括酸性物质。此外,老鼠尿液中还含有微量的游离6-氨基酚,而兔子的尿液中则含有大量的这种化合物及其葡萄糖苷酸。
Following oral doses of binapacryl, the urine of both rabbits and rats contained oxidation products of the butyl side chain of dinoseb, including the acid. In addition, rat urine contained traces of free 6-aminophenol and the urine of rabbits contained a substantial amount of this compound and its glucuronide.
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 暴露途径
该物质可以通过吸入其气溶胶、通过皮肤和经口摄入被身体吸收。
The substance can be absorbed into the body by inhalation of its aerosol, through the skin and by ingestion.
来源:ILO-WHO International Chemical Safety Cards (ICSCs)
毒理性
  • 吸入症状
腹部疼痛。腹泻。头痛。出汗。恶心。呼吸急促。呕吐。虚弱。
Abdominal pain. Diarrhoea. Headache. Sweating. Nausea. Shortness of breath. Vomiting. Weakness.
来源:ILO-WHO International Chemical Safety Cards (ICSCs)
毒理性
  • 皮肤症状
可能会被吸收!请参见吸入部分。
MAY BE ABSORBED! See Inhalation.
来源:ILO-WHO International Chemical Safety Cards (ICSCs)
毒理性
  • 眼睛症状
Redness.
Redness.
来源:ILO-WHO International Chemical Safety Cards (ICSCs)
毒理性
  • 摄入症状
见吸入。
See Inhalation.
来源:ILO-WHO International Chemical Safety Cards (ICSCs)
吸收、分配和排泄
BINAPACRYL 通过小鼠和兔子的皮肤吸收很差,如果有的话。
BINAPACRYL WAS ABSORBED POORLY, IF AT ALL, THROUGH SKIN OF MICE AND RABBITS.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
单次给药后,大鼠和家兔在48小时内通过尿液排出了7-17%的剂量。在第十天,仍在大鼠尿液中检测到0.12%的剂量……。
After a single administration of binapacryl, both rats and rabbits excreted 7-17% in the urine within 48 hr. As late as the tenth day, 0.12% of the dose was detected in the urine of rats ... .
来源:Hazardous Substances Data Bank (HSDB)

安全信息

  • 危险等级:
    6.1(b)
  • 危险品标志:
    T,N
  • 安全说明:
    S16,S26,S27,S36/37/39,S45,S53,S60,S61
  • 危险类别码:
    R21/22,R50/53,R61
  • WGK Germany:
    3
  • RTECS号:
    GQ5600000
  • 包装等级:
    III
  • 危险类别:
    6.1(b)
  • 危险品运输编号:
    2779
  • 储存条件:
    本品应密封避光保存。

SDS

SDS:00302d1a99389d07ede0ff87440914e7
查看

Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Binapacryl
Index-No. : 609-024-00-1
CAS-No. : 485-31-4
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances



Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Reproductive toxicity (Category 1B)
Acute toxicity (Category 4)
Acute toxicity (Category 4)
Acute aquatic toxicity (Category 1)
Chronic aquatic toxicity (Category 1)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
May cause harm to the unborn child. Harmful in contact with skin and if swallowed. 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 Danger
Hazard statement(s)
H302 Harmful if swallowed.
H312 Harmful in contact with skin.
H410 Very toxic to aquatic life with long lasting effects.
H360D May damage the unborn child.
Precautionary statement(s)
P201 Obtain special instructions before use.
P273 Avoid release to the environment.
P280 Wear protective gloves/ protective clothing.
P308 + P313 IF exposed or concerned: Get medical advice/ attention.
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)
R61 May cause harm to the unborn child.
R21/22 Also harmful in contact with skin and if swallowed.
R50/53 Very toxic to aquatic organisms, may cause long-term adverse effects in
the aquatic environment.
S-phrase(s)
S53 Avoid exposure - obtain special instructions before use.
S45 In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
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.
Restricted to professional users.
Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C15H18N2O6
Molecular Weight : 322,31 g/mol
Component Concentration
Binapacryl
CAS-No. 485-31-4 -
EC-No. 207-612-9
Index-No. 609-024-00-1

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. Take victim immediately to hospital. 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
Indication of any immediate medical attention and special treatment needed
no data available

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)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Wear respiratory protection. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate
ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
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
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.Avoid exposure - obtain special
instructions before use.
Provide appropriate exhaust ventilation at places where dust is formed.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
no data available

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
the product.
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 particle
respirator type N100 (US) or type P3 (EN 143) 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).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: solid
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 no data available
boiling range
g) Flash point no data available
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 no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition 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

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

Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
LD50 Oral - rat - 58 mg/kg
LD50 Dermal - rabbit - 750 mg/kg
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
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
May cause congenital malformation in the fetus.
Presumed human reproductive toxicant
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 May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion Toxic if swallowed.
Skin
Toxic if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Additional Information
RTECS: GQ5600000

Section 12. ECOLOGICAL INFORMATION
Toxicity
Toxicity to fish mortality LOEC - Salmo salar (Atlantic salmon) - 0,06 mg/l - 96,0 h
LC50 - Oncorhynchus mykiss (rainbow trout) - 0,05 mg/l - 96,0 h
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
Very toxic to aquatic life.

Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: 2811 IMDG: 2811 IATA: 2811
UN proper shipping name
ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. (Binapacryl)
IMDG: TOXIC SOLID, ORGANIC, N.O.S. (Binapacryl)
IATA: Toxic solid, organic, n.o.s. (Binapacryl)
Transport hazard class(es)
ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1
Packaging group
ADR/RID: III IMDG: III IATA: III
Environmental hazards
ADR/RID: yes IMDG Marine Pollutant: yes IATA: no
Special precautions for user
no data available

Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

Section 16. OTHER INFORMATION
Further information
Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.



制备方法与用途

化学性质
白色结晶性粉末,熔点为65-69℃,相对密度1.2307(20℃)。在60℃时蒸气压为0.0133帕斯卡(Pa),几乎不溶于水,但能溶解于多数有机溶剂中。其溶解度如下:丙酮780克/千克、煤油107克/千克、二甲苯700克/千克。在浓酸和稀碱中不稳定,带有轻微的芳香气味。

用途
该产品是一种内吸性杀螨剂,对螨类具有速效作用,能够有效控制卵、幼虫及成虫各个阶段。它对蜜蜂等采花昆虫和天敌无害,并且对抗性螨类也有效。此外,作为杀菌剂时,对白粉病也有良好的防治效果。急性经口毒性测试表明,大鼠的LD50值为150-225毫克/千克,雄性小白鼠为1600-3200毫克/千克。

生产方法
通过将2-仲丁基-4,6-二硝基酚与β,β-二甲基丙烯酰氯在氮气保护下于135℃搅拌反应5小时制得。减压蒸馏去除多余的酰氯,剩余物用石油醚洗涤并经苯-己烷重结晶处理后得到乐杀螨原药。原料消耗定额为:2-仲丁基-4,6-二硝基酚750千克/吨、β,β-二甲基丙烯酰氯1120千克/吨。

类别
农药

毒性分级
高毒

急性毒性
口服 - 大鼠 LD50: 58 毫克/公斤;小鼠:1600毫克/公斤

可燃性危险特性
燃烧时会产生有毒氮氧化物气体

储运特性
应存放于通风低温干燥的库房,并与食品原料分开储存和运输。

灭火剂
干粉、泡沫、砂土

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
    二硝酚 2-methyl-4,6-dinitrophenol 534-52-1 C7H6N2O5 198.135

反应信息

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文献信息

  • [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] BICYCLYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS<br/>[FR] COMPOSÉS ISOTHIAZOLINE SUBSTITUÉS PAR UN BICYCLYLE
    申请人:BASF SE
    公开号:WO2014206910A1
    公开(公告)日:2014-12-31
    The present invention relates to bicyclyl-substituted isothiazoline compounds of formula (I) wherein the variables are as defined in the claims and description. The compounds are useful for combating or controlling invertebrate pests, in particular arthropod pests and nematodes. The invention also relates to a method for controlling invertebrate pests by using these compounds and to plant propagation material and to an agricultural and a veterinary composition comprising said compounds.
    本发明涉及公式(I)中变量如索权和说明中所定义的自行车基取代异噻唑啉化合物。这些化合物对抗或控制无脊椎动物害虫,特别是节肢动物害虫和线虫方面具有用途。该发明还涉及一种通过使用这些化合物来控制无脊椎动物害虫的方法,以及包含所述化合物的植物繁殖材料、农业和兽医组合物。
  • [EN] AZOLINE COMPOUNDS<br/>[FR] COMPOSÉS AZOLINE
    申请人:BASF SE
    公开号:WO2015128358A1
    公开(公告)日:2015-09-03
    The present invention relates to azoline compounds of formula (I) wherein A, B1, B2, B3, G1, G2, X1, R1, R3a, R3b, Rg1 and Rg2 are as defined in the claims and the description. The compounds are useful for combating or controlling invertebrate pests, in particular arthropod pests and nematodes. The invention also relates to a method for controlling invertebrate pests by using these compounds and to plant propagation material and to an agricultural and a veterinary composition comprising said compounds.
    本发明涉及式(I)的噁唑啉化合物,其中A、B1、B2、B3、G1、G2、X1、R1、R3a、R3b、Rg1和Rg2如权利要求和描述中所定义。这些化合物对抗或控制无脊椎动物害虫,特别是节肢动物害虫和线虫方面具有用途。该发明还涉及一种利用这些化合物控制无脊椎动物害虫的方法,以及包括所述化合物的植物繁殖材料、农业和兽医组合物。
  • [EN] MICROBIOCIDAL OXADIAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS D'OXADIAZOLE MICROBIOCIDES
    申请人:SYNGENTA PARTICIPATIONS AG
    公开号:WO2017157962A1
    公开(公告)日:2017-09-21
    Compounds of the formula (I) wherein the substituents are as defined in claim 1, useful as a pesticides, especially fungicides.
    式(I)的化合物,其中取代基如权利要求1所定义,作为杀虫剂特别是杀菌剂有用。
  • Thieno-pyrimidine compounds having fungicidal activity
    申请人:Brewster Kirkland William
    公开号:US20070093498A1
    公开(公告)日:2007-04-26
    The present invention relates to thieno[2,3-d]-pyrimidine compounds having fungicidal activity.
    本发明涉及具有杀真菌活性的噻吩[2,3-d]-嘧啶化合物。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
hnmr
mass
cnmr
ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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同类化合物

马来酰亚胺-酰胺-PEG8-四氟苯酚酯 马来酰亚胺-四聚乙二醇-五氟苯酯 马来酰亚胺-三聚乙二醇-五氟苯酚酯 靛酚乙酸酯 间氯苯乙酸乙酯 间乙酰苯甲酸 酚醛乙酸酯 邻苯二酚二乙酸酯 邻甲苯基环己甲酸酯 邻甲氧基苯乙酸酯 辛酸苯酯 辛酸对甲苯酚酯 辛酸-(3-氯-苯基酯) 辛酰溴苯腈 苯酰胺,3,4-二(乙酰氧基)-N-[6-氨基-1,2,3,4-四氢-1-(4-甲氧苯基)-3-甲基-2,4-二羰基-5-嘧啶基]- 苯酚-乳酸 苯酚,4-异氰基-,乙酸酯(ester) 苯酚,4-[(四氢-2H-吡喃-2-基)氧代]-,乙酸酯 苯酚,3-(1,1-二甲基乙基)-,乙酸酯 苯甲醇,4-(乙酰氧基)-3,5-二甲氧基- 苯基金刚烷-1-羧酸酯 苯基氰基甲酸酯 苯基庚酸酯 苯基己酸酯 苯基呋喃-2-羧酸酯 苯基吡啶-2-羧酸酯 苯基十一碳-10-烯酸酯 苯基乙醛酸酯 苯基乙酸酯-d5 苯基丙二酸单苯酯 苯基丙-2-炔酸酯 苯基丁-2,3-二烯酸酯 苯基4-乙基环己烷羧酸 苯基3-乙氧基-3-亚氨基丙酸盐 苯基2-(苯磺酰基)乙酸酯 苯基2-(4-甲氧基苯基)乙酸酯 苯基2-(2-甲氧基苯基)乙酸酯 苯基2-(2-甲基苯基)乙酸酯 苯基-乙酸-(2-甲酰基-苯基酯) 苯基(S)-2-苯基丙酸 苯基(2S,6S)-(顺式-6-甲基四氢吡喃-2-基)乙酸酯 苯基(2R,6S)-(反式-6-甲基四氢吡喃-2-基)乙酸酯 苯乙酸苯酯 苯乙酸对甲酚酯 苯乙酸-3-甲基苯酯 苯乙酸-2-甲氧基苯酯 苯乙酸-2-甲氧基-4-(1-丙烯基)-苯基酯 苯乙酸-2-甲氧-4-(2-丙烯基)苯(酚)酯 苯丙酸去甲睾酮 苄氧羰基-beta-丙氨酸对硝基苯酯