7781-10-4

• 常用中文名：4-氯-7-甲基吡咯并[2,3-D]嘧啶
• 常用英文名：4-Chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
• CAS号：7781-10-4
• 分子式：C₇H₆ClN₃
• 分子量：167.596
• 相关类别： 医药中间体 杂环化合物 嘧啶类化合物 氯嘧啶
• 发布时间：2018-12-18 18:50:13
• 更新时间：2024-01-02 13:00:50

名称

• 中文名: 4-氯-7-甲基吡咯并[2,3-D]嘧啶
• 英文名: 4-Chloro-7-Methyl-7H-Pyrrolo[2,3-d]Pyrimidine
• 中文别名: 4-氯-7-甲基-7H-吡咯并[2,3-D]嘧啶; 4-氯-7-甲基吡咯并2,3-D嘧啶
• 英文别名: 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine; 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-7-methyl-; 4-Chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 301.5±22.0 °C at 760 mmHg
• 分子式: C₇H₆ClN₃
• 分子量: 167.596
• 闪点: 136.2±22.3 °C
• 精确质量: 167.025024
• PSA: 30.71000
• LogP: 1.42
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.681
• 储存条件: 2-8°C

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: 4-Chloro-7-methyl-7h-pyrrolo[2,3-d]pyrimidine Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. H301:Toxic if swallowed P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Section3. Composition/information on ingredients. Ingredient name:4-Chloro-7-methyl-7h-pyrrolo[2,3-d]pyrimidine CAS number:7781-10-4 Section4. First aid measures Immediately wash skin with copious amounts of water for at least 15 minutes while removing Skin contact: 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. Section5. 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. Section6. 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. Section7. 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. Storage:Store in closed vessels, refrigerated. Section8. 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. Section9. Physical and chemical properties Not specified Appearance: Boiling point:No data Melting point:No data Flash point:No data Density:No data Molecular formula:C7H6ClN3 Molecular weight:167.6 Section10. 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. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. 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. Section14. Transportation information UN Number:UN2811 Class: 6.1 Packing group: III Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (4-Chloro-7-methyl-7h-pyrrolo[2,3-d]pyrimidine) Section15. 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. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): T
• 风险声明 (欧洲): 25
• 安全声明 (欧洲): 45
• 海关编码: 2933990090

合成路线

3680-69-1 74-88-4 ~91% 7781-10-4

文献：PFIZER PRODUCTS INC. Patent: WO2004/56830 A1, 2004 ; Location in patent: Page 93 ;

74-88-4 ~% 7781-10-4

文献：WO2005/95357 A2, ; Page/Page column 177; 178 ; WO 2005/095357 A2

3680-69-1 ~% 7781-10-4

文献：Journal of Medicinal Chemistry, , vol. 53, # 19 p. 6934 - 6946

3680-71-5 ~% 7781-10-4

文献：Bioorganic and medicinal chemistry letters, , vol. 12, # 16 p. 2153 - 2157

上下游产品

上游产品  3
3680-69-1 74-88-4 3680-71-5
下游产品  5
1069473-61-5 1337532-51-0 1266343-30-9 1337531-36-8
7752-54-7

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%