4-溴-2-氟-6-甲氧基苯硼酸 | 957035-32-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-溴-2-氟-6-甲氧基苯硼酸
• 中文别名: 2-氟-4-溴-6-甲氧基苯硼酸
• 英文名称: (4-bromo-2-fluoro-6-methoxyphenyl)boronic acid
• CAS: 957035-32-4
• 化学式: C₇H₇BBrFO₃
• 分子量: 248.844
• InChiKey: QEWLBJNIOLLKQS-UHFFFAOYSA-N

物化性质

• 沸点：
  334.9±52.0 °C(Predicted)
• 密度：
  1.68±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.28
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2931900090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2-8℃

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromo-2-fluoro-6-methoxyphenylboronic acid
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 4-Bromo-2-fluoro-6-methoxyphenylboronic acid
CAS number: 957035-32-4

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C7H7BBrFO3
Molecular weight: 248.8

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen fluoride, hydrogen bromide.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-溴-2-氟-6-甲氧基苯硼酸 在 4-二甲氨基吡啶 、 mercury(II) diacetate 作用下， 以 氯仿 、 甲苯 为溶剂， 反应 7.0h， 生成 2-(4-bromo-2-fluoro-6-methoxyphenyl)cyclohexane-1,3-dione
  参考文献：
  名称：

  [EN] HERBICIDALLY ACTIVE (ALKYNYL-PHENYL)-SUBSTITUTED CYCLIC DIONE COMPOUNDS AND DERIVATIVES THEREOF
  [FR] COMPOSÉS DIONE CYCLIQUES (ALKYNYL-PHÉNYLE)-SUBSTITUÉS À ACTIVITÉ HERBICIDE ET LEURS DÉRIVÉS

  摘要：

  本发明涉及一种具有以下结构的化合物（I）：其中：X是甲基或氯；R1是氟或溴；R2是乙炔基，C1-C3烷氧基，C1-C3卤代烷氧基，或C1-C3烷氧基-C1-C3烷氧基；Q是吡喃-3,5-二酮-4-基，硫代吡喃-3,5-二酮-4-基，哌啶-3,5-二酮-4-基，环戊二酮-2-基，环己三酮-2-基，环己二酮-2-基，或环庚二酮-2-基，或其衍生物（例如，融合的如融合的双环衍生物和/或螺环衍生物），或其烯醇酮互变异构体衍生物，其中Q在此进一步定义；化合物（I）可作为农药接受的盐存在。优选，X是甲基；和/或R1是氟；和/或R2是-O-R2A，其中R2A是甲基，乙基，三氟甲基，二氟甲基，三氟乙基，或-CH2CH2OCH3。这些化合物适用于作为除草剂使用。因此，本发明还涉及一种控制杂草，特别是草本单子叶杂草，在有用植物作物中的方法，包括将化合物（I）或含有该化合物的除草剂组合物施用于杂草和/或植物和/或其生长环境。

  公开号：

  WO2014191534A1

文献信息

• KR20220081059A
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] HERBICIDALLY ACTIVE (ALKYNYL-PHENYL)-SUBSTITUTED CYCLIC DIONE COMPOUNDS AND DERIVATIVES THEREOF<br/>[FR] COMPOSÉS DIONE CYCLIQUES (ALKYNYL-PHÉNYLE)-SUBSTITUÉS À ACTIVITÉ HERBICIDE ET LEURS DÉRIVÉS
  申请人：SYNGENTA LTD

  公开号：WO2014191534A1

  公开（公告）日：2014-12-04

  The present invention relates to a compound of formula (I): wherein: X is methyl or chlorine; R1 is fluorine or bromine; R2 is ethynyl, C1-C3alkoxy, C1-C3haloalkoxy, or C1-C3alkoxy-C1-C3alkoxy-; and Q is a pyran-3,5-dione-4-yl, a thiopyran-3,5-dione-4-yl, a piperidine-3,5-dione-4-yl, a cyclopentane-1,3-dione-2-yl, a cyclohexane-1,3, 5-trione-2-yl, a cyclohexane-1,3-dione-2-yl, or a cycloheptane-1,3-dione-2-yl, or a derivative thereof (e.g. a fused such as fused bicyclic derivative, and/or a spirocyclic derivative), or an enol ketone tautomer derivative thereof, wherein Q is further defined herein; and wherein the compound of formula (I) is optionally present as an agrochemically acceptable salt thereof. Preferably, X is methyl; and/or R1 is fluorine; and/or R2 is -O-R2A, wherein R2A is methyl, ethyl, trifluoromethyl, difluoromethyl, trifluoroethyl, or -CH2CH2OCH3. These compounds are suitable for use as herbicides. The invention therefore also relates to a method of controlling weeds, especially grassy monocotyledonous weeds, in crops of useful plants, comprising applying a compound of formula (I), or a herbicidal composition comprising such a compound, to the weeds and/or to the plants and/or to the locus thereof.

  本发明涉及一种具有以下结构的化合物（I）：其中：X是甲基或氯；R1是氟或溴；R2是乙炔基，C1-C3烷氧基，C1-C3卤代烷氧基，或C1-C3烷氧基-C1-C3烷氧基；Q是吡喃-3,5-二酮-4-基，硫代吡喃-3,5-二酮-4-基，哌啶-3,5-二酮-4-基，环戊二酮-2-基，环己三酮-2-基，环己二酮-2-基，或环庚二酮-2-基，或其衍生物（例如，融合的如融合的双环衍生物和/或螺环衍生物），或其烯醇酮互变异构体衍生物，其中Q在此进一步定义；化合物（I）可作为农药接受的盐存在。优选，X是甲基；和/或R1是氟；和/或R2是-O-R2A，其中R2A是甲基，乙基，三氟甲基，二氟甲基，三氟乙基，或-CH2CH2OCH3。这些化合物适用于作为除草剂使用。因此，本发明还涉及一种控制杂草，特别是草本单子叶杂草，在有用植物作物中的方法，包括将化合物（I）或含有该化合物的除草剂组合物施用于杂草和/或植物和/或其生长环境。