17467-15-1

• 常用中文名：3-苯基-1,2,4-噻二唑-5-胺
• 常用英文名：3-Phenyl-1,2,4-thiadiazol-5-amine
• CAS号：17467-15-1
• 分子式：C₈H₇N₃S
• 分子量：177.226
• 发布时间：2018-12-26 17:17:08
• 更新时间：2024-01-08 12:22:13

名称

• 中文名: 5-氨基-3-苯基-1,2,4-噻重氮
• 英文名: 3-phenyl-1,2,4-thiadiazol-5-amine
• 中文别名: 3-苯基-1,2,4-噻二唑-5-胺
• 英文别名: 1,2,4-Thiadiazol-5-amine,3-phenyl; 1,2,4-Thiadiazol-5-amine, 3-phenyl-; 3-Phenyl-5-aminothiadiazole; 3-Phenyl-1,2,4-thiadiazol-5-amine; EINECS 241-485-0; 3-phenyl-5-amino-1,2,4-thiadiazole; T5NS DNJ CZ ER; 5-Amino-3-phenyl-1,2,4-thiadiazole; 3-Phenyl-[1,2,4]thiadiazol-5-ylamin; 3-phenyl-[1,2,4]thiadiazol-5-ylamine; MFCD00003159; 2-amino-4-phenyl-1,3,5-thiadiazole

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 359.0±25.0 °C at 760 mmHg
• 熔点: 152-156 °C
• 分子式: C₈H₇N₃S
• 分子量: 177.226
• 闪点: 170.9±23.2 °C
• 精确质量: 177.036072
• PSA: 80.04000
• LogP: 2.03
• 外观性状: 淡褐色细结晶粉末
• 蒸汽压: 0.0±0.8 mmHg at 25°C
• 折射率: 1.670
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：49.64

  2、 摩尔体积（m³/mol）：132.9

  3、 等张比容（90.2K）：377.9

  4、 表面张力（3.0 dyne/cm）：65.3

  5、 极化率（0.5 10 ^-24cm ³）：19.68

• 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:1

  5.互变异构体数量:3

  6.拓扑分子极性表面积80

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:147

  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：无可用

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：152-156

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Name: 5-Amino-3-Phenyl-1 2 4-Thiadiazole 99% Material Safety Data Sheet Synonym: 3-Phenyl-1,2,4-Thiadiazol-5-Amin CAS: 17467-15-1 Section 1 - Chemical Product MSDS Name:5-Amino-3-Phenyl-1 2 4-Thiadiazole 99% Material Safety Data Sheet Synonym:3-Phenyl-1,2,4-Thiadiazol-5-Amin Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 17467-15-1 5-Amino-3-Phenyl-1,2,4-Thiadiazole 99 241-485-0 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Ingestion: Causes gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Inhalation: Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. 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. 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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Extinguishing Media: Use agent most appropriate to extinguish fire. 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, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Wash clothing before reuse. Storage: Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed. 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# 17467-15-1: 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: Crystalline powder Color: slightly brown Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 152.00 - 156.00 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: N/A Explosion Limits, upper: N/A Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C8H7N3S Molecular Weight: 177.22 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 17467-15-1: XI2897000 LD50/LC50: Not available. Carcinogenicity: 5-Amino-3-Phenyl-1,2,4-Thiadiazole - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. 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# 17467-15-1: 2 Canada CAS# 17467-15-1 is listed on Canada's NDSL List. CAS# 17467-15-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 17467-15-1 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1 。 试验方法：口服 摄入剂量： 75毫克/千克 测试对象：鸟-鹌鹑 毒性类型：急性 毒性作用：详细的毒副作用没有报告以外的其他致死剂量值 2 。 试验方法：口服 摄入剂量： 56200微克/千克 测试对象：鸟类-野生鸟类 毒性类型：急性 毒性作用：详细的毒副作用没有报告以外的其他致死剂量值 生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : XI2897000 CHEMICAL NAME : 1,2,4-Thiadiazol-5-amine, 3-phenyl- CAS REGISTRY NUMBER : 17467-15-1 LAST UPDATED : 199701 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C8-H7-N3-S HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Bird - quail DOSE/DURATION : 75 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EESADV Ecotoxicology and Environmental Safety. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1977- Volume(issue)/page/year: 6,149,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Bird - wild bird species DOSE/DURATION : 56200 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 12,355,1983

安全

• 危害码 (欧洲): Xn: Harmful;Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S36/37/39-S26-S22
• 海关编码: 2934999090

合成路线

1101173-93-6 98-80-6 ~12% 17467-15-1

文献：Wehn, Paul M.; Harrington, Paul E.; Eksterowicz, John E. Organic Letters, 2009 , vol. 11, # 24 p. 5666 - 5669

888-71-1 17356-08-0 ~% 17467-15-1

文献：Tetrahedron, , vol. 53, # 37 p. 12629 - 12636

333-20-0 618-39-3 ~% 17467-15-1

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 19 p. 5447 - 5454

333-20-0 1670-14-0 ~% 17467-15-1

文献：Chemische Berichte, , vol. 87, p. 68,74 Chemische Berichte, , vol. 89, p. 1534,1540 DE955684 , ;

71017-37-3 333-20-0 ~% 17467-15-1

文献：Chemische Berichte, , vol. 87, p. 68,74 Chemische Berichte, , vol. 89, p. 1534,1540

上下游产品

上游产品  7
1101173-93-6 98-80-6 888-71-1 333-20-0
618-39-3 1670-14-0 71017-37-3
下游产品  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%