二氟(4-氟苯基)乙酸 | 94010-78-3

• 物质功能分类: 有机原料 - 有机氟化合物
• 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: 二氟(4-氟苯基)乙酸
• 中文别名: 2,2-二氟-2-(4-氟苯基)乙酸
• 英文名称: 2,2-difluoro-2-(4-fluorophenyl)acetic acid
• CAS: 94010-78-3
• 化学式: C₈H₅F₃O₂
• mdl: MFCD11167795
• 分子量: 190.122
• InChiKey: POBKFWBINPQWMW-UHFFFAOYSA-N

物化性质

• 沸点：
  250.3±35.0 °C(Predicted)
• 密度：
  1.431±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2916399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Difluoro(4-fluorophenyl)acetic 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: Difluoro(4-fluorophenyl)acetic acid
CAS number: 94010-78-3

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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.
Storage: Store in closed vessels.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C8H5F3O2
Molecular weight: 190.1

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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.

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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：

  二氟(4-氟苯基)乙酸 在 N,N-二甲基甲酰胺 草酰氯 、 三乙胺 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 反应 3.0h， 生成 2-(2,2-difluoro-2-(4-fluorophenyl)acetamido)benzamide
  参考文献：
  名称：

  [EN] 4-AZOLYLAMINOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF
  [FR] DÉRIVÉS DE 4-AZOLYLAMINOQUINAZOLINE ET LEURS MÉTHODES D'UTILISATION

  摘要：

  公开号：

  WO2012030914A8
• 作为产物：
  描述：

  4-氟苯基乙醛酸乙酯 在 sodium hydroxide 、 二乙胺基三氟化硫 作用下， 反应 28.0h， 生成 二氟(4-氟苯基)乙酸
  参考文献：
  名称：

  用二乙基氨基三氟化硫（DAST）氟化2-氧乙烷衍生物

  摘要：

  描述了用DAST对2-氧代乙烷衍生物进行氟化。ZnI 2用作催化剂可提高DAST对2-苯基-2-氧代乙腈的氟化收率。

  DOI：

  10.1016/0022-1139(95)03346-7

文献信息

• [EN] JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS MODULANT LES KINASES JAK ET PROCÉDÉS POUR LES UTILISER
  申请人：AMBIT BIOSCIENCES CORP

  公开号：WO2010002472A1

  公开（公告）日：2010-01-07

  Provided herein are pyrrolotriazine compounds for treatment of JAK kinase, including JAK2 kinase mediated diseases. Also provided are pharmaceutical compositions comprising the compounds and methods of using the compounds and compositions.

  本文提供了用于治疗JAK激酶，包括JAK2激酶介导的疾病的吡咯三嗪化合物。还提供了包含这些化合物的药物组合物以及使用这些化合物和组合物的方法。
• [EN] 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF<br/>[FR] DÉRIVÉS DE 7-CYCLYLQUINAZOLINE ET LEURS MÉTHODES D'UTILISATION
  申请人：AMBIT BIOSCIENCES CORP

  公开号：WO2012030912A1

  公开（公告）日：2012-03-08

  Provided herein are 7-cyclylquinazoline compounds for treatment of JAK kinase mediated diseases, including JAK2 kinase-, JAK3 kinase- or TYK2 kinase- mediated diseases. Also provided are pharmaceutical compositions comprising the compounds and methods of using the compounds and compositions.

  本文提供了用于治疗JAK激酶介导疾病的7-环喹唑啉化合物，包括JAK2激酶、JAK3激酶或TYK2激酶介导的疾病。还提供了包含这些化合物的药物组合物以及使用这些化合物和组合物的方法。
• [EN] AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS D'AZOLOPYRIDINE ET D'AZOLOPYRIMIDINE ET MÉTHODES D'UTILISATION ASSOCIÉES
  申请人：AMBIT BIOSCIENCES CORP

  公开号：WO2012030924A1

  公开（公告）日：2012-03-08

  Provided herein are azolopyridine and azolopyrimidine compounds for treatment of JAK kinase mediated diseases, including JAK2 kinase-, JAK3 kinase- or TYK2 kinase-mediated diseases. Also provided are pharmaceutical compositions comprising the compounds and methods of using the compounds and compositions.

  本文提供了用于治疗JAK激酶介导疾病的咪唑吡啶和咪唑吡啶化合物，包括JAK2激酶、JAK3激酶或TYK2激酶介导的疾病。还提供了包含这些化合物的药物组合物以及使用这些化合物和组合物的方法。
• [EN] THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS THIÉNOPYRIDINES ET THIÉNOPYRIMIDINES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：AMBIT BIOSCIENCES CORP

  公开号：WO2012030894A1

  公开（公告）日：2012-03-08

  Provided herein are thienopyridine and thienopyrimidine compounds of formula (I) for treatment of JAK kinase mediated diseases, including JAK2 kinase-, JAK3 kinase- or TYK2 kinase-mediated diseases. Also provided are pharmaceutical compositions comprising the compounds and methods of using the compounds and compositions.

  本文提供了用于治疗JAK激酶介导疾病的噻吩并噻嘧啶化合物的化学式（I），包括JAK2激酶、JAK3激酶或TYK2激酶介导的疾病。还提供了包含这些化合物的药物组合物以及使用这些化合物和组合物的方法。
• [EN] ANTIPROLIFERATIVE COMPOUNDS, AND THEIR PHARMACEUTICAL COMPOSITIONS AND USES<br/>[FR] COMPOSÉS ANTIPROLIFÉRATIFS, LEURS COMPOSITIONS PHARMACEUTIQUES ET LEURS UTILISATIONS
  申请人：CELGENE CORP

  公开号：WO2017120422A1

  公开（公告）日：2017-07-13

  Compounds of formula A-I and B-I, compositions comprising the compounds, methods of making the compounds and methods of their uses are disclosed.

  公式A-I和B-I的化合物、包含这些化合物的组合物、制造这些化合物的方法以及它们的使用方法被公开。