2-氯苯甲脒盐酸盐 | 18637-02-0

• 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-氯苯甲脒盐酸盐
• 英文名称: 2-chlorobenzamidine hydrochloride
• 英文别名: 2-chlorobenzimidamide hydrochloride；2-chlorobenzenecarboximidamide;hydrochloride
• CAS: 18637-02-0
• 化学式: C₇H₇ClN₂*ClH
• mdl: MFCD00275607
• 分子量: 191.06
• InChiKey: KVMVAFKWEWLDPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  49.9
• 氢给体数：
  3
• 氢受体数：
  1

安全信息

• 海关编码：
  2925290090
• 危险性防范说明：
  P233,P260,P261,P264,P270,P271,P280,P301+P312,P302+P352,P304,P304+P340,P305+P351+P338,P312,P321,P330,P332+P313,P337+P313,P340,P362,P403,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Chloro-benzamidine, HCl
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-Chloro-benzamidine, HCl
CAS number: 18637-02-0

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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: C7H7ClN2.ClH
Molecular weight: 191.1

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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, 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-氯苯甲脒盐酸盐 在 potassium phosphate monohydrate 、 sulfur 作用下， 以 二甲基亚砜 、 甲苯 为溶剂， 反应 36.0h， 以81%的产率得到3-氨基-1,2-苯并异噻唑
  参考文献：
  名称：

  Efficient synthesis of 1,2-benzisothiazoles from o-haloarylamidines and elemental sulfur via N–S/C–S bond formation under transition-metal-free conditions

  摘要：

  通过无过渡金属条件下从胺基甲酸盐和元素硫直接合成1,2-苯并异噻唑，形成N-S/C-S键，对各种官能团具有良好的容忍性。

  DOI：

  10.1039/c7gc03599c

文献信息

• BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF
  申请人：Furstner Chantal

  公开号：US20130190330A1

  公开（公告）日：2013-07-25

  The present application relates to novel bisaryl-linked 5-aryl-1,2,4-triazolone derivatives, to processes for preparing them, to their use alone or in combinations for the treatment and/or prevention of diseases and also to their use for the production of medicaments for the treatment and/or prevention of diseases, more particularly for the treatment and/or prevention of cardiovascular disorders.

  本申请涉及新型的双芳基连接的5-芳基-1,2,4-三唑啉酮衍生物，涉及制备它们的方法，涉及它们单独或组合用于治疗和/或预防疾病，以及涉及它们用于生产用于治疗和/或预防疾病的药物，尤其是用于治疗和/或预防心血管疾病的药物。
• Palladium-Catalyzed 3-Aryl-5-acyl-1,2,4-thiadiazole Formation from Ketones, Amidines, and Sulfur Powder
  作者：Zilong Wang、Hao Xie、Fuhong Xiao、Yanjun Guo、Huawen Huang、Guo-Jun Deng

  DOI：10.1002/ejoc.201700148

  日期：2017.3.27

  An efficient strategy for 3,5-disubstituted-1,2,4-thiadiazoles from ketones, amidines and sulfur powder under palladium-catalyzed conditions has been developed. Aromatic ketones acted as carbon source and acyl source in this transformation. This reaction provided an efficient approach for 3-aryl-5-acyl-1,2,4-thiadiazoles from readily available starting materials.

  已开发出一种在钯催化条件下由酮、脒和硫粉制备 3,5-二取代-1,2,4-噻二唑的有效策略。芳香酮在该转化中充当碳源和酰基源。该反应为从容易获得的起始材料制备 3-芳基-5-酰基-1,2,4-噻二唑提供了一种有效的方法。
• Direct oxidative coupling of amidine hydrochlorides and methylarenes: TBHP-mediated synthesis of substituted 1,3,5-triazines under metal-free conditions
  作者：Wei Guo

  DOI：10.1039/c5ob01799h

  日期：——

  5-triazines were smoothly formed via TBHP-mediated direct oxidative coupling of amidine and methylarenes. This tandem oxidation–imination–cyclization transformation exhibits a straightforward protocol to prepare 1,3,5-triazines from easily available starting materials and green oxidants under metal-free conditions.

  通过TBHP介导的idine和甲基芳烃的直接氧化偶合反应，顺利形成了各种2,4,6-三取代的1,3,5-三嗪。这种串联氧化-胺化-环化转化过程展示了一种简单的方法，可以在无金属的条件下从容易获得的原料和绿色氧化剂制备1,3,5-三嗪。
• [EN] PYRAZOLOTRIAZINES<br/>[FR] PYRAZOLOTRIAZINES
  申请人：BAYER AG

  公开号：WO2021116178A1

  公开（公告）日：2021-06-17

  The present invention provides compounds of general formula (I), in which X, R1, R2 and R3 are as described and defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds, and the use of said compounds for manufacturing pharmaceutical compositions for the treatment and/or prophylaxis of diseases, in particular of hyperproliferative disorders such as cancer disorders, as a sole agent or in combination with other active ingredients.

  本发明提供了具有通用公式（I）的化合物，其中X，R1，R2和R3如本文所述和定义，制备所述化合物的方法，用于制备所述化合物的有用中间化合物，包含所述化合物的药物组合物和组合，以及使用所述化合物用于制造用于治疗和/或预防疾病的药物组合物，特别是作为单一剂或与其他活性成分结合使用的过度增殖障碍，如癌症疾病。
• Base‐Mediated Decarboxylative [3+2] Annulation of Ethynyl Benzoxazinanones and Benzimidamides: Synthesis of Imidazole Derivatives
  作者：Lan Wang、Feng Jiang、Xing Gao、Wei Wang、Yongjun Wu、Hongchao Guo、Bing Zheng

  DOI：10.1002/adsc.202001550

  日期：2021.4.13

  A base‐mediated decarboxylative [3+2] annulation of trimethylsilylethynyl benzoxazinanones and benzimidamides hydrochloride was achieved under mild reaction conditions to give various imidazole derivatives in high yields. Notably, it demonstrated a new reaction mode of alkynyl benzoxazinanones.

  在温和的反应条件下，实现了碱介导的三甲基甲硅烷基乙炔基苯并恶嗪酮与盐酸苯并咪酰胺类化合物的[3 + 2]环化反应，以高收率得到了各种咪唑衍生物。值得注意的是，它展示了炔基苯并恶嗪酮的新反应模式。