3-氨基二苯基盐酸盐 | 2113-55-5

• 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: 3-氨基二苯基盐酸盐
• 英文名称: 3-phenylaniline hydrochloride
• 英文别名: 3-amino-biphenyl hydrochloride；m-Biphenylamine hydrochloride；biphenyl-3-ylamine; hydrochloride；Biphenyl-3-ylamin; Hydrochlorid；3-Bipenylammoniumchlorid；[1,1'-Biphenyl]-3-amine hydrochloride；3-phenylaniline;hydrochloride
• CAS: 2113-55-5
• 化学式: C₁₂H₁₁N*ClH
• mdl: MFCD00068358
• 分子量: 205.687
• InChiKey: FFNBBUJVAUTTPK-UHFFFAOYSA-N

物化性质

• 熔点：
  199-200 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))
• 溶解度：
  略微加热可溶于甲醇及水

计算性质

• 辛醇/水分配系数(LogP)：
  2.79
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 海关编码：
  2921499090
• 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: 3-Aminobiphenyl, HCl
Synonyms: Biphenyl-3-amine, HCl; 3-Phenylaniline, HCl

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H351: Suspected of causing cancer
H302: Harmful if swallowed

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Section 3. Composition/information on ingredients.
Ingredient name: 3-Aminobiphenyl, HCl
CAS number: 2113-55-5

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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: C12H12ClN
Molecular weight: 205.7

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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.

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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：

  3-氨基二苯基盐酸盐 在 盐酸 、 potassium xanthate 、 lithium aluminium tetrahydride 、 PPA 、 sodium hydride 、 sodium nitrite 作用下， 以 六甲基磷酰三胺 、 乙醚 、 水 为溶剂， 反应 10.0h， 生成 3,9-diphenylthioxanthenol
  参考文献：
  名称：

  Hori, Mikio; Kataoka, Tadashi; Shimizu, Hiroshi, Journal of the Chemical Society. Perkin transactions I, 1987, p. 187 - 194

  摘要：

  DOI：

文献信息

• PPAR-gamma modulator
  申请人：SANKYO COMPANY, LIMITED

  公开号：US20030134859A1

  公开（公告）日：2003-07-17

  A compound of the following formula or a pharmacologically acceptable salt thereof: 1 wherein A represents a phenyl group or the like, B represents an aryl group or the like, X represents an oxygen atom or the like, and n represents 0 or 1. The compound is a PPAR &ggr; modulator which is a therapeutic agent for retrograde osteoporosis in which excessive differentiation of adipocytes is inhibited and formation and differentiation of osteoblasts from stem cells is facilitated, and for diabetes mellitus without characteristics such as excessive adipogenesis, liver dysfunction, vascular disorders, heart diseases and the like.

  以下化学式的化合物或其药理学上可接受的盐：其中A代表苯基或类似物，B代表芳基或类似物，X代表氧原子或类似物，n代表0或1。该化合物是一种PPAR &ggr; 调节剂，用于治疗逆行性骨质疏松症，通过抑制脂肪细胞的过度分化并促进干细胞向成骨细胞的形成和分化，以及用于糖尿病而不具有过度脂肪生成、肝功能障碍、血管紊乱、心脏疾病等特征。
• 3-methyl-hio-4-(5-, 6-, or 7-)phenylindolindolin-2-ones
  申请人：A. H. Robins Company, Incorporated

  公开号：US04670566A1

  公开（公告）日：1987-06-02

  This invention relates to novel compounds having the formula: ##STR1## wherein; R.sup.1 is fluoro, chloro, bromo, lower-alkyl or nitro, R.sup.2 is lower alkyl, lower alkoxy, fluoro, chloro, bromo, nitro or trifluoromethyl, and m and n are 0-2 with the proviso that when R.sup.1 or R.sup.2 are tertiary butyl or a sterically hindering lower alkyl radical, m and/or n are 1. These compounds are intermediates in the preparation of 2-aminobiphenylacetic acids, esters and metal salts thereof.

  这项发明涉及具有以下结构的新化合物：##STR1## 其中；R.sup.1为氟、氯、溴、较低烷基或硝基，R.sup.2为较低烷基、较低烷氧基、氟、氯、溴、硝基或三氟甲基，m和n为0-2，但当R.sup.1或R.sup.2为三级丁基或有立体阻碍的较低烷基基团时，m和/或n为1。这些化合物是制备2-氨基联苯乙酸、酯及其金属盐的中间体。
• 2-Amino-6-biphenylacetic acids
  申请人：A. H. Robins Company, Inc.

  公开号：US04333951A1

  公开（公告）日：1982-06-08

  Novel 2-amino-6-biphenylacetic acids, esters, and metal salts are provided of the formula: ##STR1## wherein R represents hydrogen or lower alkyl, R.sup.1 represents fluoro, chloro, bromo, lower-alkyl or amino; R.sup.2 represents lower-alkyl, lower-alkoxy, fluoro, chloro, bromo, amino or trifluoromethyl; n is 0-3 and m is 0-2, and the pharmaceutically acceptable salts thereof. The compounds exhibit muscle relaxant activity, and are also useful as anti-inflammatory agents.

  提供了式子为：##STR1## 的新型2-氨基-6-联苯乙酸、酯和金属盐，其中R代表氢或低碳基，R.sup.1代表氟、氯、溴、低碳基或氨基；R.sup.2代表低碳基、低碳氧基、氟、氯、溴、氨基或三氟甲基；n为0-3，m为0-2，以及其药学上可接受的盐。这些化合物表现出肌肉松弛活性，并且还可用作抗炎药物。
• PPAR (GAMMA) MODULATORS
  申请人：Sankyo Company, Limited

  公开号：EP1277729A1

  公开（公告）日：2003-01-22

  [Subject] The present invention has a purpose for providing a PPAR γ modulator which can be a therapeutic agent for retrograde osteoporosis in which excessive differentiation of adipocytes was inhibited and formation and differentiation of osteoblasts from stem cells is facilitated or that for diabetes mellitus without characteristics such as excessive adipogenesis, liver dysfunction, vascular disorders, heart diseases and the like. [Solution] A compound of the following formula or a pharmacologically acceptable salt thereof: wherein A represents a phenyl group or the like, B represents an aryl group or the like, X represents an oxygen atom or the like, and n represents 0 or 1.

  主题 本发明的目的在于提供一种PPAR γ调节剂，该调节剂可作为逆行性骨质疏松症的治疗药物，在逆行性骨质疏松症中，脂肪细胞的过度分化受到抑制，而干细胞的成骨细胞的形成和分化得到促进，或者可作为无过度脂肪生成、肝功能障碍、血管紊乱、心脏病等特征的糖尿病的治疗药物。 [解决方案］ 下式化合物或其药理学上可接受的盐： 其中 A 代表苯基或类似物，B 代表芳基或类似物，X 代表氧原子或类似物，n 代表 0 或 1。
• HORI MIKIO; KATAOKA TADASHI; SHIMIZU HIROSHI; BAN MASATOSHI; MATSUSHITA H+, J. CHEM. SOC. PERKIN TRANS,(1987) N 1, 187-194
  作者：HORI MIKIO、 KATAOKA TADASHI、 SHIMIZU HIROSHI、 BAN MASATOSHI、 MATSUSHITA H+

  DOI：——

  日期：——