39565-05-4

• 常用中文名：5-(4-硝基苯磺酰)噻唑-2-胺
• 常用英文名：5-(4-Nitrophenylsulfonyl)thiazole-2-amine
• CAS号：39565-05-4
• 分子式：C₉H₇N₃O₄S₂
• 分子量：285.30000
• 发布时间：2018-12-06 11:09:10
• 更新时间：2024-01-05 18:41:24

名称

• 中文名: 5-(4-硝基苯磺酰)噻唑-2-胺
• 英文名: 5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine
• 中文别名: 2-氨基-5-(4-硝基苯基磺酰基)噻唑; 4-硝基苯基-(2-氨基噻唑-5-基)砜
• 英文别名: p-nitrophenyl-2-aminothiazol-5-ylsulfone; p-Nitrophenyl-2-aminothiazol-5-ylsulphone; EINECS 254-515-2; WLN: T5N CSJ BZ DSWR DNW

物化性质

• 密度: 1.633g/cm3
• 沸点: 572.7ºC at 760mmHg
• 熔点: 222ºC
• 分子式: C₉H₇N₃O₄S₂
• 分子量: 285.30000
• 闪点: 300.2ºC
• 精确质量: 284.98800
• PSA: 155.49000
• LogP: 3.65150
• 外观性状: 黄色粉末
• 折射率: 1.678
• 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：无可用

  2、 摩尔体积（cm³/mol）：无可用

  3、 等张比容（90.2K）：无可用

  4、 表面张力（dyne/cm）：无可用

  5、 极化率：无可用

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.6

  2.氢键供体数量:1

  3.氢键受体数量:7

  4.可旋转化学键数量:2

  5.互变异构体数量:2

  6.拓扑分子极性表面积156

  7.重原子数量:18

  8.表面电荷:0

  9.复杂度:409

  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）：222

  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: 2-Amino-5-(4-nitrophenylsulfonyl)- thiazole Material Safety Data Sheet Synonym: 2-Amino-5(p-nitrophenylsulfonyl)Thiazole; 2-Thiazolamine,s-((4-nitrophenyl)Sulfonyl CAS: 39565-05-4 Section 1 - Chemical Product MSDS Name:2-Amino-5-(4-nitrophenylsulfonyl)- thiazole Material Safety Data Sheet Synonym:2-Amino-5(p-nitrophenylsulfonyl)Thiazole; 2-Thiazolamine,s-((4-nitrophenyl)Sulfonyl Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 39565-05-4 2-Amino-5-(4-nitrophenylsulfonyl)-thia 100.00 254-515-2 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: Dust may cause mechanical irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause 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 immediately. 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: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. 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: Antidote: None reported. 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: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Keep container closed when not in use. 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 39565-05-4: 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: Powder Color: yellow Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 222.00 - 226.00 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: N/A Explosion Limits, upper: N/A Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C9H7N3O4S2 Molecular Weight: 285.28 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, strong oxidants. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, nitrogen. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 39565-05-4: XJ2870000 LD50/LC50: Not available. Carcinogenicity: 2-Amino-5-(4-nitrophenylsulfonyl)-thiazole - 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: Not available. Risk Phrases: 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# 39565-05-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 39565-05-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 39565-05-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : XJ2870000 CHEMICAL NAME : Thiazole, 2-amino-5-(p-nitrophenylsulfonyl)- CAS REGISTRY NUMBER : 39565-05-4 BEILSTEIN REFERENCE NO. : 0283324 LAST UPDATED : 199706 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C9-H7-N3-O4-S2 MOLECULAR WEIGHT : 285.31 WISWESSER LINE NOTATION : T5N CSJ BZ DSWR DNW HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 178 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value MUTATION DATA TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria - Salmonella typhimurium DOSE/DURATION : 50 umol/L REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 118,153,1983

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): S24/25
• 海关编码: 2934100090

合成路线

7354-88-3 ~% 39565-05-4

文献：Bambas Journal of the American Chemical Society, 1945 , vol. 67, p. 668

775342-82-0 ~% 39565-05-4

文献：Ohta Yakugaku Zasshi, 1948 , vol. 68, p. 216 Chem.Abstr., 1954 , p. 3966 Full Text Show Details Izumi et al. Yakugaku Zasshi, 1951 , vol. 71, p. 546,548 Chem.Abstr., 1952 , p. 497

685530-24-9 ~% 39565-05-4

文献：Izumi et al. Yakugaku Zasshi, 1951 , vol. 71, p. 546,548 Chem.Abstr., 1952 , p. 497

81146-79-4 ~% 39565-05-4

文献：Ohta Yakugaku Zasshi, 1948 , vol. 68, p. 216 Chem.Abstr., 1954 , p. 3966

1849-36-1 ~% 39565-05-4

文献：Ohta Yakugaku Zasshi, 1948 , vol. 68, p. 216 Chem.Abstr., 1954 , p. 3966

上下游产品

上游产品  5
7354-88-3 775342-82-0 685530-24-9 81146-79-4
1849-36-1
下游产品  2
7354-88-3 473-30-3

海关

海关编码	2934100090
中文概述	2934100090. 结构上含有一个非稠合噻唑环的化合物(不论是否氢化). 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	2934100090 other compounds containing an unfused thiazole 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%