2-氯-6-氟亚苄基乙酮 | 175136-82-0

• 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: 2-氯-6-氟亚苄基乙酮
• 中文别名: 2-氯-6-氟苯亚甲基乙酮
• 英文名称: (E)-4-(2-chloro-6-fluorophenyl)but-3-en-2-one
• 英文别名: trans-4-(2-fluoro-6-chlorophenyl)-3-buten-2-one；(3E)-4-(2-chloro-6-fluorophenyl)but-3-en-2-one
• CAS: 175136-82-0
• 化学式: C₁₀H₈ClFO
• 分子量: 198.624
• InChiKey: VZRBDBXFAKDNDJ-AATRIKPKSA-N

物化性质

• 沸点：
  115°C 0,8mm
• 密度：
  1.239±0.06 g/cm3(Predicted)
• 闪点：
  115°C/0.8mm
• 稳定性/保质期：
  避氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 海关编码：
  2914700090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (3E)-4-(2-Chloro-6-fluorophenyl)but-3-en-2-one
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: (3E)-4-(2-Chloro-6-fluorophenyl)but-3-en-2-one
CAS number: 175136-82-0

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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, refrigerated.
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: C10H8ClFO
Molecular weight: 198.6

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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 chloride, hydrogen fluoride.

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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：

  2-氯-6-氟亚苄基乙酮 、 二甲基亚砜 在 三苯基膦氢溴酸盐 作用下， 反应 5.0h， 以51%的产率得到(E)-S-methyl 4-(2-chloro-6-fluorophenyl)-2-oxobut-3-enethioate
  参考文献：
  名称：

  PPh3·HBr‐DMSO介导的γ-取代的β，γ-不饱和α-酮甲基硫代酯和α-溴烯醛的简便合成方法：在合成2-甲基硫基-3-3（2 H）-呋喃酮中的应用

  摘要：

  对于γ-β取代的合成的高效化学选择性一般方法，从α，β不饱和酮γ不饱和α-ketomethylthioesters已经通过了前所未有的PPH实现3 ⋅HBr-DMSO介导的氧化溴化和kornblum氧化反应序列。新开发的试剂系统可用于从enals合成α-溴烯醛。此外，还描述了AuCl 3催化在极温和条件下从上述中间体有效地获得3（2H）-呋喃酮的方法。

  DOI：

  10.1002/chem.201303755
• 作为产物：
  描述：

  2-氯-6-氟-苯甲醛 在 sodium hydroxide 作用下， 以 水 、 丙酮 为溶剂， 以94.6%的产率得到2-氯-6-氟亚苄基乙酮
  参考文献：
  名称：

  Unsaturated oxime ethers and their use as fungicides

  摘要：

  本发明涉及某些肟醚化合物，含有这些化合物的组合物，以及通过使用这些化合物或组合物的杀真菌量来控制真菌的方法。

  公开号：

  US06303818B1

文献信息

• Dehydrozingerone Inspired Discovery of Potential Broad-Spectrum Fungicidal Agents as Ergosterol Biosynthesis Inhibitors
  作者：Xiangmin Song、Xinyue Zhu、Ting Li、Cai Liang、Meng Zhang、Yu Shao、Jun Tao、Ranfeng Sun

  DOI：10.1021/acs.jafc.9b04231

  日期：2019.10.16

  were synthesized, and their fungicidal activities and action mechanism against Colletotrichum musae were evaluated. The bioassay result showed that most compounds exhibited excellent fungicidal activity in vitro at 50 μg mL–1. Compounds 13, 16, 18, 19, and 27 exhibited broad-spectrum fungicidal activity; especially, compounds 19 and 27 were found to have more potent fungicidal activity than azoxystrobin

  一系列脱氢姜油酮衍生物的合成，和它们的杀真菌活性和对抗作用机理炭疽病musae进行评价。生物测定结果表明，大多数化合物在50μgmL –1的体外显示出优异的杀真菌活性。化合物13，16，18，19，和27显示出广谱的杀真菌活性; 特别地，发现化合物19和27比嘧菌酯具有更强的杀真菌活性。化合物19和27的EC 50值相对于茄子枯萎病菌分别为0.943和0.161μgmL –1。此外，化合物27对米黄单胞菌（Panthomonas oryzae） PV显示出显着的体外杀菌活性。米曲霉，用EC 50值的11.386微克毫升-1，它的疗效（49.64％）和对水稻白叶枯病保护效果（51.74％）（分别为42.90％，40.80％）为等同于菌素的。化合物27还可以在体内有效控制灰霉病（87.10％，200μgmL –1）和水稻鞘枯病（100％，200μgmL –1 ; 82.89％，100μgmL
• COMPOUNDS
  申请人：Boyle Jessica

  公开号：US20080161288A1

  公开（公告）日：2008-07-03

  Compounds of formula (I) and pharmaceutically acceptable salts thereof are agonists at the beta-2 adrenoceptor. They are useful as feed additives for livestock animals.

  化学式为（I）的化合物及其药学上可接受的盐是β-2肾上腺素受体激动剂。它们可用作家畜饲料添加剂。
• HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS
  申请人：Pfizer Limited

  公开号：EP2079747B1

  公开（公告）日：2011-03-09
• US6303818B1
  申请人：——

  公开号：US6303818B1

  公开（公告）日：2001-10-16
• [EN] UNSATURATED OXIME ETHERS AND THEIR USE AS FUNGICIDES<br/>[FR] ETHERS D'OXIMES INSATURES UTILISES EN TANT QUE FONGICIDES
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2002012172A1

  公开（公告）日：2002-02-14

  The present invention relates to certain oxime ether compounds, compositions containing these compounds, and methods for controlling fungi by the use of a fungitoxic amount of the compounds or compositions.