80466-79-1

• 常用中文名：3,5-二甲基异噁唑-4-磺酰(基)氯
• 常用英文名：3,5-Dimethylisoxazole-4-sulfonyl chloride
• CAS号：80466-79-1
• 分子式：C₅H₆ClNO₃S
• 分子量：195.624
• 发布时间：2018-02-17 08:00:00
• 更新时间：2024-01-11 18:56:48

名称

• 中文名: 3,5-二甲基异唑-4-磺酰氯
• 英文名: 3,5-Dimethylisoxazole-4-sulfonylchloride
• 中文别名: 3,5-二甲基异噁唑-4-磺酰(基)氯
• 英文别名: 4-Isoxazolesulfonyl chloride, 3,5-dimethyl-; 3,5-Dimethyl-1,2-oxazole-4-sulfonyl chloride; MFCD00052554

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 310.8±42.0 °C at 760 mmHg
• 熔点: 39-40°C
• 分子式: C₅H₆ClNO₃S
• 分子量: 195.624
• 闪点: 141.7±27.9 °C
• 精确质量: 194.975693
• PSA: 68.55000
• LogP: 0.77
• 外观性状: 白色到灰白色 固体，粉末， 或 晶体
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.505
• 储存条件: 室温
• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.2

  2.氢键供体数量:0

  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:无

  6.拓扑分子极性表面积68.6

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:235

  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

MSDS

Name: 3 5-Dimethylisoxazole-4-sulfonyl chloride 97% Material Safety Data Sheet Synonym: CAS: 80466-79-1 Section 1 - Chemical Product MSDS Name:3 5-Dimethylisoxazole-4-sulfonyl chloride 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 80466-79-1 3,5-Dimethylisoxazole-4-sulfonyl chlor 97% unlisted Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.Moisture sensitive. 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: Vacuum or sweep up material and place into a suitable disposal 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# 80466-79-1: 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: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 40 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Specific Gravity/Density: Molecular Formula: C5H6ClNO3S Molecular Weight: 196 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents, bases. 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# 80466-79-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 3,5-Dimethylisoxazole-4-sulfonyl chloride - 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 SOLID, N.O.S.* Hazard Class: 8 UN Number: 1759 Packing Group: III IMO Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing Group: III RID/ADR Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 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# 80466-79-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 80466-79-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 80466-79-1 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): C:Corrosive;
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S26-S27-S36/37/39
• 危险品运输编码: 3261
• 包装等级: II
• 危险类别: 8
• 海关编码: 2934999090

合成路线

300-87-8 ~66% 80466-79-1

文献：Filimonov, Sergey I.; Korsakov, Mikhail K.; Kravchenko, Dmitry V.; Dorogov, Mikhail V.; Tkachenko, Sergey E.; Ivachtchenko, Alexandre V. Journal of Heterocyclic Chemistry, 2006 , vol. 43, # 3 p. 663 - 671

上下游产品

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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%