1123-93-9

• 常用中文名：5-氨基苯并噻唑
• 常用英文名：5-Benzothiazolamine
• CAS号：1123-93-9
• 分子式：C₇H₆N₂S
• 分子量：150.201
• 发布时间：2018-02-23 08:00:00
• 更新时间：2024-01-03 20:19:58
• 下载msds

名称

• 中文名: 1,3-苯并噻唑-5-胺
• 英文名: 1,3-benzothiazol-5-amine
• 中文别名: 5-氨基苯并噻唑; 5-氨基-1,3-苯并噻唑
• 英文别名: benzo[d]thiazol-5-amine; Benzothiazol-5-ylamine; 5-AMINOBENZOTHIAZOLE; 5-Amino-1,3-benzothiazole; benzothiazol-5-amine; Benzothiazol-5-ylamin; 1,3-Benzothiazol-5-amine; 1,3-benzothiazol-5-ylamine; MFCD04115282; 5-Benzothiazolamine; 1,3-Benzothiazole-5-amine; EINECS 214-381-8

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 323.1±15.0 °C at 760 mmHg
• 熔点: 55ºC
• 分子式: C₇H₆N₂S
• 分子量: 150.201
• 闪点: 149.2±20.4 °C
• 精确质量: 150.025162
• PSA: 67.15000
• LogP: 0.73
• 外观性状: 灰白色固体
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.763
• 储存条件: 室温，密封
• 分子结构:

  1、 摩尔折射率：44.80

  2、 摩尔体积（cm³/mol）：108.5

  3、 等张比容（90.2K）：314.2

  4、 表面张力（dyne/cm）：70.2

  5、 极化率（10-24cm3）：17.76

• 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: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67.2

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:129

  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.密度（g/cm3）：1.383

  2.熔点（ºC）：55

  3.沸点（760 mmHg,ºC）：323.1

  4.闪点（ºC）：149.2

  5.形状：白色固体。

MSDS

Name: 1 3-Benzothiazol-5-amine Material Safety Data Sheet Synonym: None Known CAS: 1123-93-9 Section 1 - Chemical Product MSDS Name:1 3-Benzothiazol-5-amine Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1123-93-9 1,3-Benzothiazol-5-amine 90+ 214-381-8 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. May cause chemical conjunctivitis. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: No information found. 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. 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. 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. 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 appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Wash clothing before reuse. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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# 1123-93-9: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. 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: 58-61 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: C7H6N2S Molecular Weight: 150.20 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Dust generation. Incompatibilities with Other Materials: Oxidizing agents, acids, acid chlorides. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1123-93-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 1,3-Benzothiazol-5-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: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: 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 22 Do not breathe dust. 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. WGK (Water Danger/Protection) CAS# 1123-93-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1123-93-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1123-93-9 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): T+
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): 22-26-36/37/39
• 危险品运输编码: UN 2811
• 海关编码: 2934999090

合成路线

2942-07-6 ~52% 1123-93-9

文献：WO2005/28445 A2, ; Page/Page column 28 ; WO 2005/028445 A2

6283-25-6 ~% 1123-93-9

文献：Phytochemistry, , vol. 74, p. 159 - 165

53666-48-1 ~% 1123-93-9

文献：Phytochemistry, , vol. 74, p. 159 - 165

98556-09-3 ~% 1123-93-9

文献：Chemistry of Heterocyclic Compounds (New York, NY, United States), , vol. 8, p. 36 - 38 Khimiya Geterotsiklicheskikh Soedinenii, , vol. 8, # 1 p. 38 - 40

58759-63-0 ~% 1123-93-9

文献：Helvetica Chimica Acta, , vol. 33, p. 1429,1431

97-00-7 ~% 1123-93-9

文献：Helvetica Chimica Acta, , vol. 33, p. 1429,1431

上下游产品

上游产品  6
2942-07-6 6283-25-6 53666-48-1 98556-09-3
58759-63-0 97-00-7
下游产品  7
18463-90-6 88-63-1 58249-57-3 768-11-6
769-19-7 36894-61-8 50480-29-0

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%