5-氯-2-三氟甲氧基苯胺 | 326-64-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 5-氯-2-三氟甲氧基苯胺
• 中文别名: 2-(三氟甲氧基)-5-氯苯胺；2-氨基-4-氯三氟甲氧基苯
• 英文名称: 5-chloro-2-(trifluoromethoxy)aniline
• 英文别名: 2-amino-4-chlorotrifluoro-methoxybenzene
• CAS: 326-64-7
• 化学式: C₇H₅ClF₃NO
• 分子量: 211.571
• InChiKey: KSBUTBXMRFVLND-UHFFFAOYSA-N

物化性质

• 沸点：
  214.5±35.0 °C(Predicted)
• 密度：
  1.468±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  6.1
• 海关编码：
  2922299090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Chloro-2-(trifluoromethoxy)aniline
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H311: Toxic in contact with skin
H302: Harmful if swallowed
H332: Harmful if inhaled
H315: Causes skin irritation
Causes serious eye irritation
H319:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P309: IF exposed or you feel unwell:
P310: Immediately call a POISON CENTER or doctor/physician
P302+P352: IF ON SKIN: Wash with soap and water

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Section 3. Composition/information on ingredients.
Ingredient name: 5-Chloro-2-(trifluoromethoxy)aniline
CAS number: 326-64-7

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C7H5ClF3NO
Molecular weight: 211.6

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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, nitrogen oxides, 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
UN Number: UN2810 Class: 6.1 Packing group: III
Proper shipping name: TOXIC, LIQUIDS, ORGANIC, N.O.S. OR TOXIC, LIQUIDS, ORGANIC, N.O.S. INHALA-
TION HAZARD, PACKING GROUP I, ZONE A OR B (5-Chloro-2-(trifluoromethoxy)aniline)

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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：

  5-氯-2-三氟甲氧基苯胺 在 copper(ll) bromide 、 亚硝酸异戊酯 作用下， 以 水 、 乙腈 为溶剂， 反应 1.0h， 生成 2-溴-4-氯-1-三氟甲氧基苯
  参考文献：
  名称：

  [EN] FACTOR XIa INHIBITORS
  [FR] INHIBITEURS DU FACTEUR XIA

  摘要：

  本发明提供了一种化合物（I）的化合物，以及包含一种或多种所述化合物的药物组合物，并且提供了使用所述化合物用于治疗或预防血栓形成、栓塞、高凝血性或纤维变化的方法。这些化合物是选择性因子XIa抑制剂或因子XIa和血浆激肽酶的双重抑制剂。

  公开号：

  WO2017074832A1
• 作为产物：
  描述：

  4-氯-2-硝基-1-(三氟甲氧基)苯 在 aluminum nickel 作用下， 以 甲醇 为溶剂， 生成 5-氯-2-三氟甲氧基苯胺
  参考文献：
  名称：

  Method for preparing 2-trifluoro-methoxy-aniline

  摘要：

  本发明涉及一种制备I式化合物的方法，其中I式化合物的公式为：##STR1## 包括以下步骤：a) 可选地将II式化合物：##STR2## 与硝化试剂反应；b) 还原步骤a)中得到的化合物；c) 将步骤b)中得到的化合物进行脱氢氯化以得到I式化合物；d) 从反应混合物中分离步骤c)中得到的化合物。

  公开号：

  US06121492A1

文献信息

• BENZOFURAN-2-SULFONAMIDES DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS
  申请人：ALLERGAN, INC.

  公开号：US20130231338A1

  公开（公告）日：2013-09-05

  The present invention relates to novel benzofuran-2-sulfonamide derivatives, processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals as modulators of chemokine receptors.

  本发明涉及新型苯并呋喃-2-磺酰胺衍生物，制备它们的方法，含有它们的药物组合物以及它们作为化学受体调节剂的药用。
• [EN] SULFONAMIDE COMPOUNDS HAVING TNAP INHIBITORY ACTIVITY<br/>[FR] COMPOSÉS DE SULFONAMIDE AYANT UNE ACTIVITÉ INHIBITRICE DE TNAP
  申请人：DAIICHI SANKYO CO LTD

  公开号：WO2018119444A1

  公开（公告）日：2018-06-28

  The present invention relates to a compound or a pharmacologically acceptable salt thereof having excellent tissue non-specific alkaline phosphatase inhibitory activity. The present invention provides a compound represented by the formula (I) or a pharmacologically acceptable salt thereof.

  本发明涉及一种具有优异的组织非特异性碱性磷酸酶抑制活性的化合物或其药理学上可接受的盐。本发明提供一种由式(I)表示的化合物或其药理学上可接受的盐。
• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20190169166A1

  公开（公告）日：2019-06-06

  Provided is a heterocyclic compound that may have a GCN2 inhibitory action, and is expected to be useful for the prophylaxis or treatment of GCN2 associated diseases including cancer and the like. A compound represented by the formula (I): wherein each symbol is as described in the DESCRIPTION, or a salt thereof.

  提供的是一种可能具有GCN2抑制作用的杂环化合物，预计可用于预防或治疗与GCN2相关的疾病，包括癌症等。一种由以下式（I）表示的化合物： 其中每个符号如描述中所述，或其盐。
• [EN] SMALL MOLECULE INHIBITORS OF GALECTIN-3<br/>[FR] INHIBITEURS À PETITES MOLÉCULES DE GALECTINE -3
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2020198266A1

  公开（公告）日：2020-10-01

  The present disclosure relates to compounds of Formula (I), which inhibit Gal-3, and include pharmaceutically acceptable salts, compositions comprising such compounds, and methods using and making such compounds and compositions.

  本公开涉及式(I)的化合物，其抑制Gal-3，并包括药用可接受的盐、包含此类化合物的组合物，以及使用和制备此类化合物和组合物的方法。
• [EN] PYRIDO-OXAZINONE DERIVATIVES AS TNAP INHIBITORS<br/>[FR] DÉRIVÉS DE PYRIDO-OXAZINONE UTILISÉ COMME INHIBITEURS DE TNAP
  申请人：DAIICHI SANKYO CO LTD

  公开号：WO2017007943A1

  公开（公告）日：2017-01-12

  The present invention relates to a compound or a pharmacologically acceptable salt thereof having excellent tissue non-specific alkaline phosphatase inhibitory activity. The present invention provides a compound represented by the formula (I) : wherein R1 represents a hydrogen atom, an optionally substituted Cl-6 alkyl group, or the like, R2 and R3 are the same or different and each represent a hydrogen atom, an optionally substituted Cl-6 alkyl group, or the like, R4 and R5 are the same or different and each represent a hydrogen atom, an optionally substituted Cl-6 alkyl group, or the like, R6 represents a hydrogen atom or the like, each R7 may be the same or different and may each represent an optionally substituted Cl-6 alkoxy group or the like, X represents -CH=, -C(-R7)=, or -N=, and m represents 1 to 4, or a pharmacologically acceptable salt thereof.

  本发明涉及一种具有出色的组织非特异性碱性磷酸酶抑制活性的化合物或其药理学可接受的盐。本发明提供一种由以下式（I）表示的化合物：其中R1代表氢原子、可选择取代的Cl-6烷基基团等，R2和R3相同或不同，各自代表氢原子、可选择取代的Cl-6烷基基团等，R4和R5相同或不同，各自代表氢原子、可选择取代的Cl-6烷基基团等，R6代表氢原子或等，每个R7可能相同或不同，每个可以代表可选择取代的Cl-6烷氧基团等，X代表-CH=，-C(-R7)=，或-N=，m代表1到4，或其药理学可接受的盐。