1-甲基咪唑-5-甲酰氯盐酸盐 | 343569-06-2

• 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: 1-甲基咪唑-5-甲酰氯盐酸盐
• 中文别名: 1-甲基-1H-咪唑-5-羰酰氯盐酸盐；1-甲基咪唑-5-羰酰氯盐酸盐
• 英文名称: 1-methyl-5-imidazolecarboxylic acid chloride hydrochloride
• 英文别名: 1-methyl-1H-imidazole-5-carbonyl chloride hydrochloride；3-methyl-3H-imidazole-4-carbonyl chloride hydrochloride；3-methyl-3H-imidazole-4-carbonyl chloride hydrohloride；3-methylimidazole-4-carbonyl chloride;hydrochloride
• CAS: 343569-06-2
• 化学式: C₅H₅ClN₂O*ClH
• 分子量: 181.021
• InChiKey: IRADJQMSOFSMNS-UHFFFAOYSA-N

物化性质

• 熔点：
  214 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.22
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  34.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2933290090
• 危险品运输编号：
  UN 3261

SDS

Name:	1-Methyl-1H-imidazole-5-carbonyl chloride hydrochloride tech Material Safety Data Sheet
Synonym:
CAS:	343569-06-2

Section 1 - Chemical Product MSDS Name:1-Methyl-1H-imidazole-5-carbonyl chloride hydrochloride tech Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
343569-06-2	1-Methyl-1H-imidazole-5-carbonyl chlor		unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under an inert atmosphere.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 343569-06-2: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 181 - 183 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C5H6Cl2N2O
Molecular Weight: 181.02

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 343569-06-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Methyl-1H-imidazole-5-carbonyl chloride hydrochloride - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 343569-06-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 343569-06-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 343569-06-2 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-甲基咪唑-5-甲酰氯盐酸盐 在 臭氧 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 12.92h， 生成 xestomanzamine B
  参考文献：
  名称：

  Synthesis of Xestomanzamines A and B

  摘要：

  DOI：

  10.3987/com-00-9107
• 作为产物：
  描述：

  1-甲基-1H-咪唑-5-甲酸 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 以85%的产率得到1-甲基咪唑-5-甲酰氯盐酸盐
  参考文献：
  名称：

  Synthesis of Xestomanzamines A and B

  摘要：

  DOI：

  10.3987/com-00-9107

文献信息

• MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS
  申请人：Combs Andrew Paul

  公开号：US20090286778A1

  公开（公告）日：2009-11-19

  The present invention relates to macrocyclic compounds of Formula I: or pharmaceutically acceptable salts thereof or quaternary ammonium salts thereof wherein constituent members are provided hereinwith, as well as their compositions and methods of use, which are JAK/ALK inhibitors useful in the treatment of JAK/ALK-associated diseases including, for example, inflammatory and autoimmune disorders, as well as cancer.

  本发明涉及以下化学式I的大环化合物： 或其药用可接受盐或季铵盐，其中所述成员在此提供，并且它们的组成物和使用方法，这些JAK/ALK抑制剂在治疗JAK/ALK相关疾病中有用，例如炎症和自身免疫性疾病以及癌症。
• [EN] CCR8 INHIBITORS<br/>[FR] INHIBITEURS DE CCR8
  申请人：MILLENNIUM PHARM INC

  公开号：WO2004058736A1

  公开（公告）日：2004-07-15

  Disclosed is an inhibitor of CCR8 that is represented by Structural Formula (I). Also disclosed are pharmaceutical compositions comprising a pharmaceutically acceptable carrier or diluent and a CCR8 inhibitor represented by Structural Formula (I). Also disclosed is a method of treating inflammatory disorders in a subject by administering a CCR8 inhibitor to the subject.

  揭示了一种由结构式（I）表示的CCR8抑制剂。还揭示了包括药用载体或稀释剂和由结构式（I）表示的CCR8抑制剂的药物组合物。还揭示了通过向受试者施用CCR8抑制剂来治疗炎症性疾病的方法。
• [EN] CCR8 INHIBITORS<br/>[FR] INHIBITEURS DU CCR8
  申请人：MILLENNIUM PHARM INC

  公开号：WO2004058709A1

  公开（公告）日：2004-07-15

  Disclosed are CCR8 inhibitors represented by Structural Formulas (I). The variables in Structural Formula (I) are described herein. Also disclosed are methods of treating a subject with a CCR8 mediated condition, especially asthma, by administering one of the disclosed CCR8 inhibitors to the subject.

  揭示了由结构式（I）代表的CCR8抑制剂。结构式（I）中的变量在此处描述。还揭示了通过向受试者施用所披露的CCR8抑制剂之一来治疗CCR8介导的疾病，特别是哮喘的方法。
• [EN] N-HETEROCYCLYL-SUBSTITUTED AMINO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS<br/>[FR] DERIVES D'AMINO-THIAZOLE SUBSTITUES PAR N-HETEROCYCLYLE EN TANT QU'INHIBITEURS DE LA PROTEINE KINASE
  申请人：PFIZER

  公开号：WO2004074283A1

  公开（公告）日：2004-09-02

  Aminothiazole compounds with N-containing cycloalkyl at the 2-amino position which are represented by the Formula (I), or a pharmaceutically acceptable prodrug of said compound, or pharmaceutically acceptable salt of said compound, modulate and/or inhibit the cell proliferation and activity of protein kinases.

  Aminothiazole化合物在2-氨基位置带有N-含氮环烷基，其化学式表示为（I），或者该化合物的药学上可接受的前药，或者该化合物的药学上可接受的盐，可以调节和/或抑制细胞增殖和蛋白激酶活性。
• 5,10,15-Tris(<i>o-</i>aminophenyl) Corrole (TAPC) as a Versatile Synthon for the Preparation of Corrole-Based Hemoprotein Analogs
  作者：James P. Collman、Richard A. Decréau

  DOI：10.1021/ol048185s

  日期：2005.3.1

  [structure: see text] The atropisomers of 5,10,15-tris(o-aminophenyl) corrole (alphabetaalpha, alphaalphabeta, and alphaalphaalpha) are metastable at room temperature as a result of the low rotational barrier of the o-aminophenyl pickets adjacent to the bipyrrole moiety. Atropisomer enrichment of TAPC was required for the preparation of picket fence, triazacyclononane-capped, and trisimidazole-alp

  [结构：见正文]由于邻邻邻氨基苯基小分子的低旋转势垒，5,10,15-三（邻氨基苯基）的阻转异构体（alphabetaalpha，alphaalphabeta和alphaalphaalpha）在室温下是亚稳态的到双吡咯部分。制备栅栏，三氮杂环壬烷封端的三咪唑-α-alpha-corroles需要TAPC的阻转异构体富集。通过用短皮带连接两个顺苯胺并在TAPC的另一面上插入咪唑尾，也获得了顺式A（2）B几何的外消旋α（2）β模型。