69816-05-3

• 常用中文名：5-(氯磺酰基)-2-糠酸甲酯
• 常用英文名：METHYL 5-(CHLOROSULFONYL)-2-FUROATE
• CAS号：69816-05-3
• 分子式：C₆H₅ClO₅S
• 分子量：224.61900
• 发布时间：2018-12-14 19:40:40
• 更新时间：2024-01-05 19:14:44

名称

• 中文名: 5-(氯代磺酰基)-2-糠酸甲酯
• 英文名: methyl 5-chlorosulfonylfuran-2-carboxylate
• 中文别名: 5-(氯磺酰基)-2-糠酸甲酯
• 英文别名: methyl 5-chlorosulfonyl-2-furancarboxylate; 5-chlorosulfonyl-furan-2-carboxylic acid methyl ester

物化性质

• 密度: 1.53g/cm3
• 沸点: 118ºC 1mm
• 分子式: C₆H₅ClO₅S
• 分子量: 224.61900
• 闪点: 158.1ºC
• 精确质量: 223.95500
• PSA: 81.96000
• LogP: 2.07450
• 折射率: 1.511
• 分子结构:

  1、 摩尔折射率：43.99

  2、 摩尔体积（m³/mol）：146.7

  3、 等张比容（90.2K）：381.2

  4、 表面张力（dyne/cm）：45.5

  5、 极化率（10 ^-24cm ³）：17.44

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:5

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积82

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:293

  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：。

  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：。

MSDS

Name: Methyl 5-(chlorosulfonyl)-2-furoate 95+% Material Safety Data Sheet Synonym: CAS: 69816-05-3 Section 1 - Chemical Product MSDS Name:Methyl 5-(chlorosulfonyl)-2-furoate 95+% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 69816-05-3 Methyl 5-(chlorosulfonyl)-2-furoate 95+% 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: 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. Store under nitrogen. 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# 69816-05-3: 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: Viscous liquid Color: yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 118 deg C @1mmHg 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: C6H5ClO5S Molecular Weight: 225 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, amines. Hazardous Decomposition Products: Hydrogen chloride, chlorine, carbon monoxide, oxides of sulfur, carbon dioxide, acrid smoke and fumes. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 69816-05-3 unlisted. LD50/LC50: Not available. Carcinogenicity: Methyl 5-(chlorosulfonyl)-2-furoate - 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, ACIDIC, ORGANIC, N.O.S.* Hazard Class: 8 UN Number: 3261 Packing Group: III IMO Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3261 Packing Group: III RID/ADR Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3261 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# 69816-05-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 69816-05-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 69816-05-3 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): Xi: Irritant;
• 风险声明 (欧洲): 34
• 安全声明 (欧洲): 26-36/37/39
• 危险品运输编码: UN 3265
• 海关编码: 2932190090

合成路线

938452-64-3 ~% 69816-05-3

文献：WO2007/60215 A2, ; Page/Page column 15 ;

88-14-2 ~% 69816-05-3

文献：Pharmaceutical Chemistry Journal, , vol. 17, # 6 p. 410 - 414 Khimiko-Farmatsevticheskii Zhurnal, , vol. 17, # 6 p. 685 - 688

87299-57-8 ~% 69816-05-3

文献：Pharmaceutical Chemistry Journal, , vol. 17, # 6 p. 410 - 414 Khimiko-Farmatsevticheskii Zhurnal, , vol. 17, # 6 p. 685 - 688

67-56-1 87299-58-9 ~% 69816-05-3

文献：Pharmaceutical Chemistry Journal, , vol. 17, # 6 p. 410 - 414 Khimiko-Farmatsevticheskii Zhurnal, , vol. 17, # 6 p. 685 - 688

上下游产品

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88-14-2 87299-57-8 67-56-1 87299-58-9
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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%