43088-67-1

• 常用中文名：4-氯-5-甲基噻吩基[2,3-d]嘧啶
• 常用英文名：4-Chloro-5-methylthieno[2,3-d]pyrimidine
• CAS号：43088-67-1
• 分子式：C₇H₅ClN₂S
• 分子量：184.64600
• 相关类别： 医药中间体 杂环化合物 嘧啶类化合物 噻吩嘧啶
• 发布时间：2018-07-25 18:18:25
• 更新时间：2024-02-04 16:58:18

名称

• 中文名: 4-氯-5-甲基噻吩并[2,3-d]嘧啶
• 英文名: 4-Chloro-5-methylthieno[2,3-d]pyrimidine
• 中文别名: 4-氯-5-甲基噻促退并[2,3-d]嘧啶; 4-氯-5-甲基噻吩基[2,3-d]嘧啶
• 英文别名: MFCD00205201; 4-chloro-5-methylthieno[2,3-d]pyrimidine

物化性质

• 密度: 1.445g/cm3
• 沸点: 301.3ºC at 760mmHg
• 熔点: 137ºC
• 分子式: C₇H₅ClN₂S
• 分子量: 184.64600
• 闪点: 136ºC
• 精确质量: 183.98600
• PSA: 54.02000
• LogP: 2.65310
• 折射率: 1.682
• 储存条件: 2-8°C，保存于惰性气体中
• 分子结构:

  1、 摩尔折射率：48.38

  2、 摩尔体积（cm³/mol）：127.7

  3、 等张比容（90.2K）：356.0

  4、 表面张力（dyne/cm）：60.4

  5、 极化率（10-24cm3）：19.18

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.9

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积54

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:155

  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. 熔点（ºC）：137

MSDS

Name: 4-Chloro-5-methylthieno[2 3-d]pyrimidine 97% Material Safety Data Sheet Synonym: CAS: 43088-67-1 Section 1 - Chemical Product MSDS Name:4-Chloro-5-methylthieno[2 3-d]pyrimidine 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 43088-67-1 4-Chloro-5-methylthieno[2,3-d]pyrimidi 97% unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. 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. 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. 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. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. 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# 43088-67-1: 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. 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: 138 - 140 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: C7H5ClN2S Molecular Weight: 185 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 43088-67-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Chloro-5-methylthieno[2,3-d]pyrimidine - 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 No information available. IMO No information available. RID/ADR No information available. 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# 43088-67-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 43088-67-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 43088-67-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S37/39
• 海关编码: 2934999090

合成路线

43088-64-8 ~39% 43088-67-1

文献：JE IL PHARMACEUTICAL CO., LTD. Patent: WO2007/102679 A1, 2007 ; Location in patent: Page/Page column 49 ; WO 2007/102679 A1

上下游产品

上游产品  1
43088-64-8
下游产品  3
19786-56-2 917907-37-0 917908-06-6

海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 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
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%