66356-53-4

• 常用中文名：雷尼替丁杂质B
• 常用英文名：2-[([5-[(Dimethylamino)methyl]-2-furyl]methyl)thio]ethan-1-amine
• CAS号：66356-53-4
• 分子式：C₁₀H₁₈N₂OS
• 分子量：214.328
• 发布时间：2018-12-13 19:24:30
• 更新时间：2024-01-04 12:51:03
• 【用途一】
  雷尼替丁的中间体。

名称

• 中文名: 2-(((5-二甲基氨基)甲基)-2-呋喃基)甲基)硫代乙胺
• 英文名: Ranitidine Impurity B
• 中文别名: 5-(((2-氨基乙基)硫代)甲基)-N,N-二甲基-2-呋喃甲胺; 2[([5-[(二甲胺)甲基]-2-呋喃基]甲基)硫代]乙胺; 2-[(2-氨基乙硫基)甲基]-5-[(N,N-二甲氨基)甲基]呋喃; 雷尼替丁杂质B
• 英文别名: EINECS 266-330-4; 2-[({5-[(Dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethanamine; 5-((2-aminoethyl)thiomethyl)-N,N-dimethyl-2-furanmethanamine; 2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethanamine; 2-(2-Aminoethylthiomethyl)-5-dimethylaminomethylfuran; 2-(5-Dimethylaminomethyl-furan-2-yl methylsulfanyl)-ethylamine; MFCD00277202; 2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethanamine; 2-Furanmethanamine, 5-[[(2-aminoethyl)thio]methyl]-N,N-dimethyl-; 5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furfurylamine; 2-[[[5-(dimethylamine)methyl-2-furrny]methyl]thio]ethanamine; (Ranitidine intermediate); 2-[([5-[(Dimethylamino)methyl]-2-furyl]methyl)thio]ethan-1-amine

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 292.9±40.0 °C at 760 mmHg
• 熔点: 96-97 °C(lit.)
• 分子式: C₁₀H₁₈N₂OS
• 分子量: 214.328
• 闪点: 130.9±27.3 °C
• 精确质量: 214.113983
• PSA: 67.70000
• LogP: 0.83
• 外观性状: 淡黄色或棕色液体
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.548
• 储存条件:

  存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂，避光，室温保存。

• 稳定性:

  远离氧化物，阳光，热，明火，高温，火花，静电电荷，其他点火源。

• 分子结构:

  1、 摩尔折射率：62.17

  2、 摩尔体积（m³/mol）：195.7

  3、 等张比容（90.2K）：499.3

  4、 表面张力（dyne/cm）：42.3

  5、 极化率（10^-24cm³）：24.64

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:4

  4.可旋转化学键数量:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积67.7

  7.重原子数量:14

  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. 性状：浅黄色或者棕色液体。

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：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：微溶于水，溶于乙醇，丙酮。

MSDS

Name: 2-[([5-[(Dimethylamino)methyl]-2-furyl]methyl)thio]ethan-1-amine Material Safety Data Sheet Synonym: CAS: 66356-53-4 Section 1 - Chemical Product MSDS Name:2-[([5-[(Dimethylamino)methyl]-2-furyl]methyl)thio]ethan-1-amine Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 66356-53-4 2-[([5-[(Dimethylamino)methyl]-2-furyl 95+% 266-330-4 Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns. 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. 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. 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. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. 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. 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# 66356-53-4: 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: Liquid Color: yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. 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: C10H18N2OS Molecular Weight: 214 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, acids, bases. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, acrid smoke and fumes. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 66356-53-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-[([5-[(Dimethylamino)methyl]-2-furyl]methyl)thio]ethan-1-amine - 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 Shipping Name: CORROSIVE LIQUID, N.O.S.* Hazard Class: 8 UN Number: 1760 Packing Group: III IMO Shipping Name: CORROSIVE LIQUID, N.O.S. Hazard Class: 8 UN Number: 1760 Packing Group: III RID/ADR Shipping Name: CORROSIVE LIQUID, N.O.S. Hazard Class: 8 UN Number: 1760 Packing group: III 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# 66356-53-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 66356-53-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 66356-53-4 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): C:Corrosive
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S26-S36/37/39-S45
• 危险品运输编码: 2735
• 海关编码: 2932190090

合成路线

15433-79-1 156-57-0 ~70% 66356-53-4

文献：Navarro; Almeida; Anaya; Moran; Grande; Caballero; Palacios; Montero; San Roman Pharmazie, 1995 , vol. 50, # 1 p. 12 - 15

870-24-6 134935-66-3 ~66% 66356-53-4

文献：Chachula, Stanislaw; Grynkiewicz, Grzegorz; Szczycinski, Bohdan Polish Journal of Chemistry, 1990 , vol. 64, # 7 p. 619 - 622

79589-16-5 ~94% 66356-53-4

文献：Mascal, Mark; Dutta, Saikat Green Chemistry, 2011 , vol. 13, # 11 p. 3101 - 3102

81074-81-9 ~% 66356-53-4

文献：Polish Journal of Chemistry, , vol. 64, # 7 p. 619 - 622

98-00-0 ~% 66356-53-4

文献：Pharmazie, , vol. 50, # 1 p. 12 - 15

1623-88-7 ~% 66356-53-4

文献：Green Chemistry, , vol. 13, # 11 p. 3101 - 3102

1350914-20-3 ~% 66356-53-4

文献：Green Chemistry, , vol. 13, # 11 p. 3101 - 3102

2937-53-3 81074-81-9 ~% 66356-53-4

文献：Polish Journal of Chemistry, , vol. 64, # 7 p. 619 - 622

上下游产品

上游产品  9
15433-79-1 156-57-0 870-24-6 79589-16-5
81074-81-9 98-00-0 1623-88-7 1350914-20-3
2937-53-3
下游产品  10
142744-18-1 142744-23-8 142744-25-0 142744-17-0
142744-16-9 142744-26-1 142744-21-6 66357-35-5
74-93-1 72126-82-0

海关

海关编码	2932190090
中文概述	2932190090 其他结构上有非稠合呋喃环化合物. 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	2932190090 other compounds containing an unfused furan 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%