伏草隆-去甲基 | 3032-40-4

• 物质功能分类: 化学农药原药 - 杀虫剂 - 有机氯杀虫剂
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 伏草隆-去甲基
• 中文别名: 伏草隆-脱甲基
• 英文名称: N-methyl-N'-(3-trifluoromethylphenyl)-urea
• 英文别名: desmethyl fluometuron；N-3-trifluromethylphenyl-N'-methyl urea；DMF；1-methyl-3-(3-trifluoromethyl)-phenylurea；3-(m-Trifluormethylphenyl)-1-methyl-harnstoff；N-(m-Fluoromethyl)phenyl-N'-methylharnstoff；Urea, N-methyl-N'-(3-(trifluoromethyl)phenyl)-；1-methyl-3-[3-(trifluoromethyl)phenyl]urea
• CAS: 3032-40-4
• 化学式: C₉H₉F₃N₂O
• mdl: MFCD00018005
• 分子量: 218.178
• InChiKey: SPOVEJAPXRPMBI-UHFFFAOYSA-N

物化性质

• 沸点：
  236.6±40.0 °C(Predicted)
• 密度：
  1.323±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2924299090

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 1-METHYL-3-(3-
TRIFLUOROMETHYLPHENYL)UREA
CAS-No. : 3032-40-4
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]
Acute toxicity, Oral (Category 4)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Harmful if swallowed.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H302 Harmful if swallowed.
Precautionary statement(s) none
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R22 Harmful if swallowed.
S-phrase(s) none
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C9H9F3N2O
Molecular Weight : 218,18 g/mol
Component Concentration
1-METHYL-3-(3-TRIFLUOROMETHYLPHENYL)UREA
CAS-No. 3032-40-4 -

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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
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIRE-FIGHTING 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), Hydrogen fluoride
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 dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
Environmental precautions
Do not let product enter drains.
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.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
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 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
Safety glasses with side-shields conforming to EN166 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
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges. 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: 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- log Pow: 2,46
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

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
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
no data available
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 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
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
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
no data available

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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.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

---

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SECTION 15 - REGULATORY INFORMATION
N/A

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  伏草隆-去甲基 以 吡啶 、 水 为溶剂， 生成 N-Methyl-N-aethylthio-N'-(3-trifluormethyl-phenyl)-harnstoff
  参考文献：
  名称：

  Substituted ureas as herbicides

  摘要：

  式##STR1##所示的新型尿素衍生物，其中R和R1各自独立地选自氢、氯、溴、硝基、三氟甲基、1至6个碳原子的低级烷基和1至6个碳原子的低级烷氧基，n为0或1，X选自1至6个碳原子的低级烷基（可选择性地被卤素取代）和可含有一个或多个其他杂原子的氮杂环，Y选自氢、1至4个碳原子的烷基和S-Z，其中Z为可含有一个或多个其他杂原子的氮杂环，虚线表示化合物式I中的硫原子可能不与氧原子键合，或者可能处于亚砜或砜形式，这些化合物可用作除草剂及其制备方法。

  公开号：

  US04045209A1
• 作为产物：
  描述：

  伏草隆 、 氢(+1)阳离子 、 氧气 、 [2Fe-2S]¹⁺ 生成 伏草隆-去甲基 、 聚合甲醛 、 水 、 [2Fe-2S]²⁺
  参考文献：
  名称：

  新型细菌 N-脱甲基酶 PdmAB 负责 N,N-二甲基取代的苯脲除草剂降解的初始步骤。

  摘要：

  近几十年来，苯脲类除草剂的环境归宿受到了相当大的关注。N,N-二甲基取代的苯脲类除草剂的微生物代谢通常可以通过单-N-去甲基化启动。在这项研究中，揭示了这一过程的分子基础。Sphinobium sp. 中的 pdmAB 基因。菌株 YBL2 被证明负责常用 N,N-二甲基取代的苯脲除草剂的初始单-N-去甲基化。PdmAB 是细菌 Rieske 非血红素铁加氧酶 (RO) 系统的加氧酶组分。编码 α 亚基 PdmA 和 β 亚基 PdmB 的基因 pdmAB 被组织在一个转座元件中，两侧是两个直接重复的插入元件，类似于 ISRh1。此外，这种转座因子在来自世界不同地区的苯脲除草剂降解鞘单胞菌中高度保守。然而，没有证据表明位于 pdmAB 附近的电子载体（铁氧还蛋白或还原酶）基因。如果没有其同源电子传递成分，PdmAB 在大肠杆菌、恶臭假单胞菌和其他鞘氨醇中的表达会产生一种功能性酶。此外，来自鞘氨醇单胞菌属的推定

  DOI：

  10.1128/aem.02478-13

文献信息

• Herbicidal N-alkylsulfoxymethyl-and-N-alkylsulfonyl-methyl-N-aryl
  申请人：Chevron Research Company

  公开号：US03978123A1

  公开（公告）日：1976-08-31

  Compounds of the formula ##EQU1## wherein R is alkyl of 1 to 6 carbon atoms or aryl of 6 to 12 carbon atoms substituted with 0 to 5 halogen atoms of atomic number 9 to 35, nitro groups, alkyl groups of 1 to 4 carbon atoms or alkoxy groups of 1 to 4 carbon atoms; one of R.sup.1 or R.sup.2 is alkyl of 1 to 6 carbon atoms or cycloalkyl of 5 to 6 carbon atoms and the other is aryl of 6 to 12 carbon atoms substituted with 0 to 5 halogen atoms of atomic number 9 to 35, nitro groups, alkyl groups of 1 to 4 carbon atoms or alkyoxy groups of 1 to 4 carbon atoms or trifluoromethyl; R.sup.3 is hydrogen or alkyl of 1 to 4 carbon atoms and X is sulfur, SO, SO.sub.2 or oxygen, with the proviso that when X is oxygen, R.sup.1 is aryl or substituted aryl. The ureas find use as herbicides in both pre- and post-emergent applications.

  式为##EQU1##的化合物，其中R是1至6个碳原子的烷基或6至12个碳原子的芳基，取代为0至5个原子序数为9至35的卤素原子、硝基基团、1至4个碳原子的烷基基团或1至4个碳原子的烷氧基团；R.sup.1或R.sup.2中的一个是1至6个碳原子的烷基或5至6个碳原子的环烷基，另一个是6至12个碳原子的芳基，取代为0至5个原子序数为9至35的卤素原子、硝基基团、1至4个碳原子的烷基基团或1至4个碳原子的烷氧基团或三氟甲基；R.sup.3是氢或1至4个碳原子的烷基，X是硫、SO、SO.sub.2或氧，但当X是氧时，R.sup.1是芳基或取代芳基。这些脲类化合物在除草剂的前期和后期应用中有用。
• [EN] ACTIVATORS OF HEME REGULATED INHIBITOR KINASE (HRI)<br/>[FR] ACTIVATEURS DE LA KINASE INHIBITRICE RÉGULÉE PAR L'HÈME (HRI)
  申请人：BRIGHAM & WOMENS HOSPITAL INC

  公开号：WO2021072028A1

  公开（公告）日：2021-04-15

  The present application provides compounds that modulate the activity of one or more eIF2α kinases. Pharmaceutical compositions and methods of treating diseases related to one or more eIF2α kinases are also provided.

  本申请提供了调节一个或多个eIF2α激酶活性的化合物。还提供了与一个或多个eIF2α激酶相关的疾病的药物组合物和治疗方法。
• N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION
  申请人：Aktas Bertal Huseyin

  公开号：US20120115915A1

  公开（公告）日：2012-05-10

  Compositions and methods for inhibiting translation initiation are provided. Compositions, methods and kits for treating (1) cellular proliferative disorders, (2) non-proliferative, degenerative disorders, (3) viral infections, and/or (4) disorders associated with viral infections, using N,N′-diarylureas and/or N,N′-diarylthiourea compounds are described.

  本文提供了抑制翻译起始的组合物和方法。描述了使用N，N'-二芳基脲和/或N，N'-二芳基硫脲化合物治疗（1）细胞增生性疾病，（2）非增生性退行性疾病，（3）病毒感染和/或（4）与病毒感染相关的疾病的组合物、方法和试剂盒。
• URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES
  申请人：Shiro Tomoya

  公开号：US20140179670A1

  公开（公告）日：2014-06-26

  The present invention provides: an uracil derivative represented by general formula (I) or a physiologically acceptable salt thereof (in the formula, R 1 represents a hydrogen atom, a C 1-10 alkyl group, a C 2-6 alkene group or a 3- to 6-membered saturated or 4- to 6-membered unsaturated aliphatic ring group which may contain 1 to 2 hetero atoms independently selected from the group consisting of N, O and S; R 2 represents a hydrogen atom, a halogen atom, a cyano group, —NR c R d , —N═CHN(CH 3 ) 2 , or an C 1-3 alkyl group; Ar 1 and Ar 2 independently represent a 5- to 6-membered aromatic ring group which may contain 1 to 3 hetero atoms independently selected from the group consisting of N, O and S; and L represents a 6-membered aromatic ring group which may contain 1 to 4 nitrogen atoms, a pyrazole group, a triazole group, or an imidazole group); and a therapeutic agent or prophylactic agent for various inflammatory diseases associated with elastase, comprises the compound or the like as an active ingredient.

  本发明提供：一种尿嘧啶衍生物，其由通式（I）表示，或其生理上可接受的盐（在该式中，R1代表氢原子，C1-10烷基，C2-6烯基或3-至6-成员饱和或4-至6-成员不饱和的脂肪环基，该环基可以独立地选择来自N，O和S的1到2个杂原子；R2代表氢原子，卤素原子，氰基，—NRcRd，—N═CHN(CH3)2或C1-3烷基；Ar1和Ar2独立地表示5-至6-成员芳香环基，该环基可以独立地选择来自N，O和S的1到3个杂原子；L表示6-成员芳香环基，该环基可以包含1到4个氮原子，吡唑基，三唑基或咪唑基）；以及用作与弹性酶相关的各种炎症性疾病的治疗剂或预防剂，包括该化合物或类似物作为活性成分。
• Uracil derivative and use thereof for medical purposes
  申请人：Shiro Tomoya

  公开号：US09040516B2

  公开（公告）日：2015-05-26

  The present invention provides: an uracil derivative represented by general formula (I) or a physiologically acceptable salt thereof (in the formula, R1 represents a hydrogen atom, a C1-10 alkyl group, a C2-6 alkene group or a 3- to 6-membered saturated or 4- to 6-membered unsaturated aliphatic ring group which may contain 1 to 2 hetero atoms independently selected from the group consisting of N, O and S; R2 represents a hydrogen atom, a halogen atom, a cyano group, —NRcRd, —N═CHN(CH3)2, or an C1-3 alkyl group; Ar1 and Ar2 independently represent a 5- to 6-membered aromatic ring group which may contain 1 to 3 hetero atoms independently selected from the group consisting of N, O and S; and L represents a 6-membered aromatic ring group which may contain 1 to 4 nitrogen atoms, a pyrazole group, a triazole group, or an imidazole group); and a therapeutic agent or prophylactic agent for various inflammatory diseases associated with elastase, comprises the compound or the like as an active ingredient.

  本发明提供了一种尿嘧啶衍生物，其通式表示为（I），或其生理上可接受的盐（在该式中，R1代表氢原子，C1-10烷基，C2-6烯基或3-至6-成员饱和或4-至6-成员不饱和的脂肪环基，该环基可以独立地选择从N，O和S组成的1到2个杂原子；R2代表氢原子，卤原子，氰基，—NRcRd，—N═CHN(CH3)2或C1-3烷基；Ar1和Ar2独立地代表5-至6-成员芳香环基，该环基可以独立地选择从N，O和S组成的1到3个杂原子；L代表6-成员芳香环基，该环基可以包含1到4个氮原子，吡唑基，三唑基或咪唑基）；以及治疗与弹性蛋白酶相关的各种炎症性疾病的治疗剂或预防剂，其中该化合物或类似物作为活性成分。