2-氯苯乙脒 | 55154-88-6

• 物质功能分类: 化学试剂 - 有机试剂 - 亚氨、脒
• 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-氯苯乙脒
• 中文别名: 2-(2-氯苯基)-乙脒
• 英文名称: 2-(2-chlorophenyl)acetamidine
• 英文别名: 2-chlorophenylethanamidine；2-chlorobenzylamidine；2-(2-Chlorophenyl)ethanamidine；2-(2-chlorophenyl)ethanimidamide
• CAS: 55154-88-6
• 化学式: C₈H₉ClN₂
• 分子量: 168.626
• InChiKey: KCIXUTLAXXZBPY-UHFFFAOYSA-N

物化性质

• 熔点：
  124-126℃
• 沸点：
  278℃
• 密度：
  1.24
• 闪点：
  122℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  49.9
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 海关编码：
  2925290090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(2-Chlorophenyl)ethanamidine
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: 2-(2-Chlorophenyl)ethanamidine
CAS number: 55154-88-6

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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.
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: C8H9ClN2
Molecular weight: 168.6

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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.

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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-氯苯乙脒 在 potassium carbonate 作用下， 以 二苯醚 为溶剂， 生成 5-(4-Acetamino-benzolsulfonylamino)-3-(2-chlor-benzyl)-1,2,4-thiadiazol
  参考文献：
  名称：

  WOERFFEL; BEHNISCH, Archiv der Pharmazie, 1962, vol. 295 /67, p. 811 - 816

  摘要：

  DOI：
• 作为产物：
  描述：

  邻氯苯乙腈 在 三甲基铝 作用下， 以 甲苯 为溶剂， 生成 2-氯苯乙脒
  参考文献：
  名称：

  Evolution of Anti-HIV Drug CandidatesPart 2: Diaryltriazine (DATA) Analogues

  摘要：

  A synthesis program directed toward improving the stability of imidoyl thiourea based non-nucleoside reverse transcriptase inhibitors (NNRTIs) led to the discovery of diaryltriazines (DATAs), a new class of potent NNRTIs. The synthesis and anti-HIV structure-activity relationship (SAR) studies of a series of DATA derivatives are described. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00411-5

文献信息

• Neue N-Alkoxycarbonyl- und N-Alkoxythiocarbonylamidine und Verfahren zu ihrer Herstellung
  申请人：BASF Aktiengesellschaft

  公开号：EP0073442A2

  公开（公告）日：1983-03-09

  Neue N-Alkoxycarbonyl- und N-Alkoxythiocarbonylamidine und ein Verfahren zur Herstellung von Alkoxycarbonyl- und Alkoxythiocarbonylamidinen durch Umsetzung von Amidinen mit Estern der Chlorkohlensäure oder Chlorthiokohlensäure in Gegenwart eines anorganischen Säureakzeptors und eines 2phasigen, wäßrig-organischen Lösungsmittelgemisches bei einer Temperatur von 0 bis 60°C. Die erfindungsgemäß herstellbaren neuen Endstoffe sind wertvolle Ausgangsstoffe für Farbstoffe, Pharmazeutika und Pflanzenschutzmittel und eignen sich insbesondere zur Herstellung neuer, selektiv wirkender Herbizide.

  新的 N-烷氧基羰基-和 N-烷氧基硫代羰基酰胺以及一种制备烷氧基羰基-和烷氧基硫代羰基酰胺的工艺，该工艺是在无机酸受体和两相水有机溶剂混合物存在下，在 0 至 60°C 的温度下，通过酰胺与氯代碳酸或氯代硫代碳酸的酯进行反应而制备的。
• Evolution of Anti-HIV Drug CandidatesPart 2: Diaryltriazine (DATA) Analogues
  作者：Donald W. Ludovici、Robert W. Kavash、Michael J. Kukla、Chih Y. Ho、Hong Ye、Bart L. De Corte、Koen Andries、Marie-Pierre de Béthune、Hilde Azijn、Rudi Pauwels、Henry E.L. Moereels、Jan Heeres、Lucien M.H. Koymans、Marc R. de Jonge、Koen J.A. Van Aken、Frederik F.D. Daeyaert、Paul J. Lewi、Kalyan Das、Edward Arnold、Paul A.J. Janssen

  DOI：10.1016/s0960-894x(01)00411-5

  日期：2001.9

  A synthesis program directed toward improving the stability of imidoyl thiourea based non-nucleoside reverse transcriptase inhibitors (NNRTIs) led to the discovery of diaryltriazines (DATAs), a new class of potent NNRTIs. The synthesis and anti-HIV structure-activity relationship (SAR) studies of a series of DATA derivatives are described. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Bream; Picard; White, European Journal of Medicinal Chemistry, 1981, vol. 16, # 2, p. 175 - 179
  作者：Bream、Picard、White

  DOI：——

  日期：——
• BREAM J. B.; PICARD C. W.; WHITE T. G., EUR. J. MED. CHEM.-CHIM. THER., 1981, 16, NO 2, 175-179
  作者：BREAM J. B.、 PICARD C. W.、 WHITE T. G.

  DOI：——

  日期：——
• JP2010100605A
  申请人：——

  公开号：JP2010100605A

  公开（公告）日：2010-05-06