propaquizafop | 111479-05-1

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: propaquizafop
• 英文别名: 2-[(isopropylideneamino)oxy]ethyl D-2-[p-[(6-chloro-2-quinoxalinyl)oxy]-phenoxy]propionate；2-(Propan-2-ylideneamino)oxyethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
• CAS: 111479-05-1；117422-09-0
• 化学式: C₂₂H₂₂ClN₃O₅
• 分子量: 443.887
• InChiKey: FROBCXTULYFHEJ-UHFFFAOYSA-N

物化性质

• 熔点：
  62-64°
• 比旋光度：
  D20 +29.7° (c = 0.93% in chloroform)
• 沸点：
  582.7±60.0 °C(Predicted)
• 密度：
  d20 1.29
• 闪点：
  >100 °C
• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）
• LogP：
  4.600
• 物理描述：
  COLOURLESS-TO-BROWN CRYSTALS.
• 蒸汽压力：
  Vapor pressure at 20 °C: negligible

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  92.1
• 氢给体数：
  0
• 氢受体数：
  8

ADMET

毒理性

• 暴露途径

该物质可以通过吸入其气溶胶被吸收进入人体。

The substance can be absorbed into the body by inhalation of its aerosol.

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)

安全信息

• 危险等级：
  9
• 危险品标志：
  Xn
• 危险类别码：
  R20
• WGK Germany：
  2
• RTECS号：
  UA2458258
• 海关编码：
  29339900
• 安全说明：
  S22

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Propaquizafop
CAS-No. : 111479-05-1
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]
Acute toxicity, Inhalation (Category 4)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Harmful by inhalation.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H332 Harmful if inhaled.
Precautionary statement(s) none
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R20 Harmful by inhalation.
S-phrase(s)
S22 Do not breathe dust.
Caution - substance not yet tested completely.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C22H22ClN3O5
Molecular Weight : 443,88 g/mol
Component Concentration
Propaquizafop
CAS-No. 111479-05-1 -

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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
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), Hydrogen chloride gas
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.Normal measures for preventive fire
protection.
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

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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
Colour: beige
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing 62 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash point > 100,00 °C
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 insoluble
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

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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
no data available
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 - 5.000 mg/kg
LC50 Inhalation - rat - 4 h - 2.500 mg/m3
LD50 Dermal - rat - > 2.000 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
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 Harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Additional Information
RTECS: UA2458258

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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. Contact a licensed
professional waste disposal service to dispose of this material. 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

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质 喔草酯为无色晶体（工业品为橘黄色或棕色粉末），熔点66.3℃，260℃分解。相对密度1.35（20℃），蒸汽压4.4×10⁻⁷ mPa（25℃）。分配系数Koct = 4.78（25℃）。亨利常数为9.2×10⁻⁸ Pa·m³/mol。水中溶解度（25℃）为0.63g/m³；其他溶剂中溶解度（25℃，g/L）：丙酮、二氯甲烷、乙酸乙酯、甲苯>500，甲醇76，正辛醇30，正己烷11。室温下，密闭容器中稳定≥2年；水解DT₅₀（25℃）：pH 5时为10.5天，pH 7时为32天，pH 9时为12.9小时。对紫外线稳定。pKa₂ = 2.3。

毒性 急性经口LD₅₀（mg/kg）：大鼠＞5000，小鼠3009。大鼠急性经皮LD₅₀ >2000 mg/kg，对兔皮肤和眼睛无刺激性，豚鼠开放上皮试验无致敏性，但在最大剂量下有致敏性。大鼠急性吸入LC₅₀（4h）为2.5 mg/L空气。NOEL [mg/(kg·d)]：大小鼠（2年）1.5，狗（1年）20。ADI（BfR）为0.015 mg/kg [2004]。无致突变、致畸性及繁殖毒性。

环境行为 (1) 动物经口后，快速被吸收并经粪便和尿液排出体外。消除半衰期15.6～27.2小时，在大鼠体内全部代谢，主要代谢产物是母体化合物的丙酸，然后进一步氧化和降解。喔草酯及其代谢物在体内组织中不累积。

(2) 植物（大豆、甜菜和棉花）通过根和叶吸收。母体化合物主要被降解为丙酸。

(3) 土壤/环境快速被土壤微生物降解，在各种类型土壤中的半衰期DT₅₀ < 3天，主要代谢产物DT₅₀为7～39天。春耕后田间母体化合物及代谢物DT₅₀为15～26天。实验室和田间试验表明，喔草酯及其代谢物在土壤和地下水中不会积累。在水中（水/沉积物）DT₅₀ < 1天，主要代谢产物DT₅₀为27～39天。

生物活性 Propaquizafop 是一种抑制苯氧基异丙酸除草剂，同时也是乙酰辅酶 A 羧化酶 (acetyl-coA carboxylase) 抑制剂。恶草酸属于2-（4-芳氧基苯氧基）链烷酸类除草剂，是脂肪酸合成抑制剂。本品对许多主要的一年生和多年生禾本科杂草有较好的防除效果，防除一年生禾本科杂草的施药量为60～120 g（活性物质）/ha，防除多年生杂草时的施药量为140～280 g（活性物质）/ha。在相对低温下也有良好的防除活性，在大豆、棉花、油菜、马铃薯和蔬菜等作物上安全使用。在杂草幼苗期和生长期内施用效果最佳，且作用迅速。添加剂可提高防效2～3倍，施药后1小时内降雨对防效无影响。本品迅速被植株的叶和根吸收，并转移至整个植株。芽后施药4天，敏感杂草即可有效控制。

反应信息

• 作为产物：
  描述：

  2-[(isopropylideneamino)oxy]-ethanol 、 D-2-[p-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propionic acid chloride 在 吡啶 作用下， 以 正己烷 、 二氯甲烷 为溶剂， 生成 propaquizafop
  参考文献：
  名称：

  [(Isopropylideneamino)oxy]-eth

  摘要：

  这是一篇关于草甘膦类除草剂的文章，主要内容是介绍一种名为[(异丙亚胺氧基)氧基]-乙基-2-[[(6-氯喹啉氧基)氧基]苯氧基]丙酸酯的化合物，以及该化合物的制备方法、含有该化合物的除草剂组合物和使用该组合物的方法。

  公开号：

  US04687849A1

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] 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。
• [EN] HERBICIDALLY ACTIVE HETEROARYL-S?BSTIT?TED CYCLIC DIONES OR DERIVATIVES THEREOF<br/>[FR] DIONES CYCLIQUES SUBSTITUÉES PAR HÉTÉROARYLE À ACTIVITÉ HERBICIDE OU DÉRIVÉS DE CELLES-CI
  申请人：SYNGENTA LTD

  公开号：WO2011012862A1

  公开（公告）日：2011-02-03

  The invention relates to a compound of formula (I), which is suitable for use as a herbicide wherein G is hydrogen or an agriculturally acceptable metal, sulfonium, ammonium or latentiating group; Q is a unsubstituted or substituted C3-C8 saturated or mono-unsaturated heterocyclyl containing at least one heteroatom selected from O, N and S, or Q is heteroaryl or substituted heteroaryl; m is 1, 2 or 3; and Het is an optionally substituted monocyclic or bicyclic heteroaromatic ring; and wherein the compound is optionally an agronomically acceptable salt thereof.

  该发明涉及一种化合物，其化学式为(I)，适用作为除草剂，其中G为氢或农业可接受的金属、磺酸盐、铵盐或潜伏基团；Q为未取代或取代的含有至少一个来自O、N和S的杂原子的饱和或单不饱和的C3-C8杂环烷基，或Q为杂芳基或取代的杂芳基；m为1、2或3；Het为可选择地取代的单环或双环杂芳环；且该化合物可选择地为其农学上可接受的盐。
• TRIAZOLE ACC INHIBITORS AND USES THEREOF
  申请人：Gilead Apollo, LLC

  公开号：US20170166584A1

  公开（公告）日：2017-06-15

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

  本发明提供了三唑化合物，可用作乙酰辅酶A羧化酶（ACC）的抑制剂，以及其组合物和使用方法。