39238-07-8

• 常用中文名：4-(氯甲基)-2-甲基-1,3-噻唑
• 常用英文名：4-(CHLOROMETHYL)-2-METHYL-1,3-THIAZOLE
• CAS号：39238-07-8
• 分子式：C₅H₆ClNS
• 分子量：147.62600
• 发布时间：2018-12-29 22:02:06
• 更新时间：2024-01-04 12:15:57

名称

• 中文名: 4-(氯甲基)-2-甲基-1,3-噻唑
• 英文名: 4-(chloromethyl)-2-methyl-1,3-thiazole
• 中文别名: 4-氯甲基-2-甲基噻唑; 4-氯甲基-2-甲基噻唑.盐酸盐
• 英文别名: 2-methyl-4-thiazolylmethyl chloride; 4-(Chloromethyl)-2-methylthiazole; 4-Chloromethyl-2-methylthiazole hydrochloride,98; 2-methyl-4-chloromethyl-1,3-thiazole; 4-chloromethyl-2-methyl-1,3-thiazole; MFCD00051642

物化性质

• 密度: 1.271
• 沸点: 217ºC
• 熔点: 160-165°C (dec.)
• 分子式: C₅H₆ClNS
• 分子量: 147.62600
• 闪点: 85ºC
• 精确质量: 146.99100
• PSA: 41.13000
• LogP: 2.19030
• 储存条件:

  密封、阴凉、干燥保存

• 稳定性:

  常规情况下不会分解，没有危险反应

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.8

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积41.1

  7.重原子数量:8

  8.表面电荷:0

  9.复杂度:78.8

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：未确定

  2. 密度（g/mL,20 ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）： 未确定

  4. 熔点（ºC）：160-165

  5. 沸点（ºC）：未确定

  6. 沸点（ºC, 15mm hg）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）： 未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）： 未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

Name: 4-Chloromethyl-2-Methylthiazole Hydrochloride Material Safety Data Sheet Synonym: None Known CAS: 39238-07-8 Section 1 - Chemical Product MSDS Name:4-Chloromethyl-2-Methylthiazole Hydrochloride Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 39238-07-8 4-Chloromethyl-2-Methylthiazole Hydroc ca. 100 unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.Lachrymator (substance which increases the flow of tears). Potential Health Effects Eye: Produces irritation, characterized by a burning sensation, redness, tearing, inflammation, and possible corneal injury. Lachrymator (substance which increases the flow of tears). May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Inhalation: Causes respiratory tract irritation. Can produce delayed pulmonary edema. Chronic: Effects may be delayed. 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. Do NOT allow victim to rub eyes or keep eyes closed. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. Notes to Physician: Treat symptomatically and supportively. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. Storage: Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.) 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# 39238-07-8: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. 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. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 166 - 168 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: C5H6ClNS.HCl Molecular Weight: 184.09 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, hydrogen cyanide, sulfur dioxide, carbon monoxide, oxides of nitrogen, carbon dioxide, sulfuric acid, nitric acid. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 39238-07-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Chloromethyl-2-Methylthiazole Hydrochloride - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 39238-07-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 39238-07-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 39238-07-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S26-S27-S36/37/39
• 危险品运输编码: 3261
• 包装等级: III
• 危险类别: 8
• 海关编码: 2934100090

合成路线

77470-53-2 ~99% 39238-07-8

文献：Chen, Qingqi; Lopez, Rocio Alejandra; Heller, Jonathan Daniel; Morris, Amanda Jean Patent: US2013/303531 A1, 2013 ; Location in patent: Paragraph 0107; 0146 ;

62-55-5 534-07-6 ~97% 39238-07-8

文献：Novartis AG Patent: US6350878 B1, 2002 ; Location in patent: Page column 19 ;

62-55-5 7803-96-5 ~49% 39238-07-8

文献：Gasteiger, Johann; Herzig, Christian Tetrahedron, 1981 , vol. 37, # 15 p. 2607 - 2611

22043-38-5 ~93% 39238-07-8

文献：Cohen, Anita; Crozet, Maxime D.; Rathelot, Pascal; Vanelle, Patrice Green Chemistry, 2009 , vol. 11, # 11 p. 1736 - 1742

6436-59-5 ~% 39238-07-8

文献：Zubarovskii,V.M.; Moskaleva,R.N. J. Gen. Chem. USSR (Engl. Transl.), 1962 , vol. 32, p. 570 - 575,560 - 564

21262-97-5 ~% 39238-07-8

文献：Marzoni Journal of Heterocyclic Chemistry, 1986 , vol. 23, # 2 p. 577 - 580

534-07-6 105-56-6 ~% 39238-07-8

文献：Liang et al. Yaoxue Xuebao, 1959 , vol. 7, p. 218,219 Chem.Abstr., 1960 , p. 10996

64-17-5 62-55-5 534-07-6 ~% 39238-07-8

文献：Hooper; Johnson Journal of the American Chemical Society, 1934 , vol. 56, p. 470 Full Text View citing articles Show Details Winthrop Chem.Co. Patent: US2014498 , 1932 ;

76632-23-0 ~% 39238-07-8

文献：Litzinger, Elizabeth A.; Martasek, Pavel; Roman, Linda J.; Silverman, Richard B. Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 9 p. 3185 - 3198

上下游产品

上游产品  8
77470-53-2 62-55-5 534-07-6 7803-96-5
76632-23-0 6436-59-5 105-56-6 64-17-5
下游产品  10
105687-33-0 308357-81-5 193146-53-1 152044-54-7
76632-23-0 103694-26-4 189453-10-9 144163-81-5
13458-33-8 193146-51-9

海关

海关编码	2934100090
中文概述	2934100090. 结构上含有一个非稠合噻唑环的化合物(不论是否氢化). 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%