2-(三氟甲基硫代)苯胺 | 347-55-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 2-(三氟甲基硫代)苯胺
• 中文别名: 邻三氟甲硫基苯胺；2-(三氟甲硫基)苯胺
• 英文名称: 2-aminophenyl trifluoromethyl sulphide
• 英文别名: 2-(trifluoromethylsulfanyl)phenylamine；o-Amino-S-trifluormethylthiophenol；o-Trifluormethylmercaptoanilin；Trifluormethyl-<2-amino-phenyl>-sulfid；2-aminophenyl trifluoromethyl sulfide；o-amino-(trifluoromethylthio)anisole；2-(trifluoromethylthio)benzenamine；2-(trifluoromethylthio)aniline；trifluoromethylthioaniline；2-(trifluoromethylsulfanyl)aniline
• CAS: 347-55-7
• 化学式: C₇H₆F₃NS
• mdl: MFCD00236333
• 分子量: 193.193
• InChiKey: HIPLFBJHUALLRK-UHFFFAOYSA-N

物化性质

• 熔点：
  30-34 °C
• 沸点：
  70-72 °C(Press: 7 Torr)
• 密度：
  1.37±0.1 g/cm3(Predicted)
• 闪点：
  90 °C

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  51.3
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi,T
• 危险类别码：
  R20/21/22
• 危险品运输编号：
  UN 2811
• 海关编码：
  2930909090
• 安全说明：
  S28,S36/37
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302: Harmful if swallowed
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 2-(Trifluoromethylthio)aniline
CAS number: 347-55-7

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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, refrigerated.

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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
No data
Boiling point:
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C7H6F3NS
Molecular weight: 193.2

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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 fluoride, sulfur oxides.

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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-(三氟甲基硫代)苯胺 在 四丁基硫酸氢铵 吡啶 、 盐酸 、 N-溴代丁二酰亚胺(NBS) 、 sodium dithionite 、 碳酸氢钠 、 间氯过氧苯甲酸 、 tin(ll) chloride 作用下， 以 乙醇 、 二氯甲烷 、 甲基叔丁基醚 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 143.5h， 生成 N-[2-bromo-4-heptafluoroisopropyl-6-(trifluoromethyl)sulfinyl]phenyl 3-aminobenzamide
  参考文献：
  名称：

  WO2006/137395

  摘要：

  公开号：
• 作为产物：
  描述：

  Trifluormethyl-(2-phthalimido-phenyl)-sulphid 在 一水合肼 作用下， 生成 2-(三氟甲基硫代)苯胺
  参考文献：
  名称：

  Yagupol'skii,L.M.; Boiko,V.N., Journal of general chemistry of the USSR, 1969, vol. 39, p. 179 - 182

  摘要：

  DOI：

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES
  申请人：Van Goor Fredrick F.

  公开号：US20110098311A1

  公开（公告）日：2011-04-28

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及包含上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• Trifluoromethylation of thiophenols and thiols with sodium trifluoromethanesulfinate and iodine pentoxide
  作者：Jing-Jing Ma、Wen-Bin Yi、Guo-Ping Lu、Chun Cai

  DOI：10.1039/c5cy01561h

  日期：——

  facile trifluoromethylation process for a wide range of thiophenols and thiols under metal free conditions has been developed using two simple and safe solids, sodium trifluoro-methanesulfinate and iodine pentoxide, via the radical process.

  通过自由基方法，使用两种简单且安全的固体，即三氟甲亚磺酸钠和五氧化二碘，开发了一种选择性，简便的三氟甲基化方法，用于在无金属条件下处理多种苯酚和硫醇。
• MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS
  申请人：Sheth Urvi

  公开号：US20120309758A1

  公开（公告）日：2012-12-06

  The present invention relates to modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator, compositions thereof, and methods therewith. The present invention also relates to methods of treating ABC transporter mediated diseases using such modulators.

  本发明涉及调节ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节蛋白，以及相关的组合物和方法。本发明还涉及使用这些调节剂治疗ABC转运蛋白介导的疾病的方法。
• [EN] PESTICIDE COMPOUNDS<br/>[FR] COMPOSÉS PESTICIDES
  申请人：BASF SE

  公开号：WO2015007682A1

  公开（公告）日：2015-01-22

  The present invention relates to novel compounds of the formula I and the N-oxides, stereoisomers, tautomers and agriculturally or veterinarily acceptable salts thereof wherein C1 is C or CH; C2 is C or CH; A1 is N or C; A2 is N, C(R2), N(R3), O, S or C(R4,R5); and A3 is N, O, S, N(R6), C(R7) or C(R8,R9); where one or two non-adjacent bonds in the 5-membered ring formed by C1, C2, A1, A2 and A3 are double bonds, while the others are single bonds, provided that the bond between A1 and A2 or the bond between A1 and C1 or the bond between A2 and A3 or the bond between C1 and C2 or the bond between A3 and C2 is a double bond further provided that at least one of A1, A2 and A3 is N, N(R3) or N(R6), and where Ar, R1, R2, R3, R4,R5, R6, R7, R8, R9 and (R)k are as defined in the claims and in the description, which are useful for combating or controlling invertebrate pests, in particular arthropod pests and nematodes. The invention also relates to a method for controlling invertebrate pests by using these compounds and to plant propagation material and to an agricultural and a veterinary composition comprising said compounds.

  本发明涉及公式I的新化合物及其N-氧化物、立体异构体、互变异构体和农业或兽医可接受的盐，其中C1为C或CH；C2为C或CH；A1为N或C；A2为N、C(R2)、N(R3)、O、S或C(R4,R5)；A3为N、O、S、N(R6)、C(R7)或C(R8,R9)；其中由C1、C2、A1、A2和A3形成的5元环中的一个或两个非相邻键为双键，而其他键为单键，前提是A1和A2之间的键或A1和C1之间的键或A2和A3之间的键或C1和C2之间的键或A3和C2之间的键为双键，进一步前提是A1、A2和A3中至少有一个为N、N(R3)或N(R6)，其中Ar、R1、R2、R3、R4、R5、R6、R7、R8、R9和(R)k的定义如权利要求和说明书中所述，用于对抗或控制无脊椎动物害虫，特别是节肢动物害虫和线虫。该发明还涉及一种利用这些化合物控制无脊椎动物害虫的方法，以及包括所述化合物的植物繁殖材料和农业和兽医组合物。