(2-氯噻唑-5-基)甲胺盐酸盐 | 153471-67-1

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: (2-氯噻唑-5-基)甲胺盐酸盐
• 英文名称: 2-chloro-5-(aminomethyl)thiazole hydrochloride
• 英文别名: 2-chlorothiazol-5-yl methanaminium chloride；2-chloro-5-(chloromethyl)thiazole hydrochloride；5-(aminomethyl)-2-chlorothiazole hydrochloride；(2-Chlorothiazol-5-yl)methylamine hydrochloride；(2-chloro-1,3-thiazol-5-yl)methanamine;hydrochloride
• CAS: 153471-67-1
• 化学式: C₄H₅ClN₂S*ClH
• mdl: MFCD09039253
• 分子量: 185.077
• InChiKey: QWCUHOCIRYNOOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  67.2
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2934100090
• 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: (2-Chlorothiazol-5-yl)methylamine 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-Chlorothiazol-5-yl)methylamine HCl
CAS number: 153471-67-1

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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, refrigerated.
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: C4H5ClN2S.ClH
Molecular weight: 185.1

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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, 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-氯噻唑-5-基)甲胺盐酸盐 在 盐酸 、 硫酸羟胺 作用下， 以 水 、 甲苯 为溶剂， 反应 1.5h， 以92.6%的产率得到bis{(2-chlorothiazol-5-yl)methyl}amine
  参考文献：
  名称：

  JP6217646

  摘要：

  公开号：
• 作为产物：
  描述：

  1,3,5-三{(2-氯噻唑-5-基)甲基}-1,3,5-六氢三嗪 在 硫酸 、 水 、 硫酸羟胺 、 盐酸 、 sodium hydroxide 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以94.4%的产率得到(2-氯噻唑-5-基)甲胺盐酸盐
  参考文献：
  名称：

  WO2006/109811

  摘要：

  公开号：

文献信息

• METHOD FOR PRODUCING 5-(AMINOMETHYL)-2-CHLOROTHIAZOLE
  申请人：Yamagata Kazuyuki

  公开号：US20120226049A1

  公开（公告）日：2012-09-06

  A method for producing 5-(aminomethyl)-2-chlorothiazole, which comprises the step of mixing a compound represented by formula (2): a mineral acid and a nitrite salt together.

  一种生产5-（氨甲基）-2-氯噻唑的方法，包括将式（2）所代表的化合物、一种矿酸和一种亚硝酸盐混合在一起的步骤。
• [EN] COMPOUND FOR PREPARING THIAZOLE BY AMINOMETHYLATION<br/>[FR] COMPOSÉ POUR LA PRÉPARATION DE THIAZOLE PAR METHYLATION AMINÉ
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2005123704A1

  公开（公告）日：2005-12-29

  A process for preparing a thiazole compound of formula (3): wherein X1 represents a hydrogen atom or a halogen atom comprising reacting a compound of formula (1): wherein X1 is as defined above, and X2 represents a halogen atom, with ammonia and formaldehyde to obtain a hexahydrotriazine compound of formula (2): wherein X1 is as defined above, and hydrolyzing the compound of formula (2).

  一种制备公式（3）的噻唑化合物的过程：其中X1代表氢原子或卤素原子，包括将公式（1）的化合物与氨和甲醛反应，以获得公式（2）的六氢三嗪化合物：其中X1如上定义，然后水解公式（2）的化合物。
• Process for producing guanidine derivatives, intermediates therefor and
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06008363A1

  公开（公告）日：1999-12-28

  A process for producing the compound [I] or a salt thereof having excellent pesticidal activity as shown in the following schema. ##STR1##

  以下是制备具有优异杀虫活性的化合物[I]或其盐的过程，如下图所示。 ##STR1##
• PROCESS FOR PRODUCING AMINOMETHYLATED HETEROCYCLIC DERIVATIVE
  申请人：IHARA CHEMICAL INDUSTRY CO., LTD.

  公开号：EP1052256A1

  公开（公告）日：2000-11-15

  A heterocyclic halide represented by a general formula (I):         T-CH2-Y     (I) (wherein T denotes a heterocyclic group, and Y denotes a chlorine atom, bromine atom or iodine atom), is reacted with ammonia in the presence of an aromatic aldehyde represented by a general formula (II):         A-CHO     (II) (wherein A denotes an aromatic group), to thereby produce an aminomethyl-heterocyclic derivative represented by a general formula (III):         T-CH2-N=CH-A     (III) (wherein T denotes a heterocyclic group, and A denotes an aromatic group).

  由通式 (I) 代表的杂环卤化物： T-CH2-Y (I) (其中 T 表示杂环基团，Y 表示氯原子、溴原子或碘原子）、 在通式（II）代表的芳香醛存在下与氨反应： A-CHO (II) (其中 A 表示芳香基团）、 从而生成通式 (III) 所代表的氨甲基三环衍生物： T-CH2-N=CH-A (III) (其中 T 表示杂环基团，A 表示芳香基团）。
• METHOD FOR NITRATING ISOUREA
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1997802A1

  公开（公告）日：2008-12-03

  An object of the present invention is to industrially advantageously produce N-nitroisoureas or a salt thereof which is useful as a synthetic intermediate for pharmaceuticals and pesticides. The present invention relates to a process for producing a compound represented by the formula (2): wherein R1, R2 and R3 are as defined below, or a salt thereof, which comprises reacting a compound represented by the formula (1): wherein R1 represents an optionally substituted straight-chain or branched C1 to C6 alkyl group, R2 and R3 are the same or different and represent an optionally substituted straight-chain or branched C1 to C6 alkyl group, a cycloalkyl group or a substituted aryl group, or R2 and R3 simultaneously represent a hydrogen atom, or a salt thereof with a nitrating agent in the presence of sulfur trioxide.

  本发明的目的是在工业上有利地生产 N-硝基异脲或其盐类，它们可用作医药和杀虫剂的合成中间体。本发明涉及一种生产由式（2）代表的化合物的工艺： 其中 R1、R2 和 R3 如下文所定义，或其盐的工艺，该工艺包括使式 (1) 所代表的化合物反应： 其中 R1 代表任选取代的直链或支链 C1 至 C6 烷基，R2 和 R3 相同或不同并代表任选取代的直链或支链 C1 至 C6 烷基、环烷基或取代的芳基，或 R2 和 R3 同时代表氢原子，或其盐与硝化剂在三氧化硫存在下反应。