26638-43-7

• 常用中文名：2-(氯磺酰基)苯甲酸甲酯
• 常用英文名：methyl 2-chlorosulfonylbenzoate
• CAS号：26638-43-7
• 分子式：C₈H₇ClO₄S
• 分子量：234.657
• 相关类别： 化学试剂 有机试剂 磺酸盐/亚磺酸盐
• 发布时间：2018-04-10 08:00:00
• 更新时间：2024-01-08 16:48:09
• 【用途一】
  该品为糖精钠的中间体。

名称

• 中文名: 2-(氯磺酰基)苯甲酸甲酯
• 英文名: methyl 2-chlorosulfonylbenzoate
• 中文别名: 2-甲氧羰基苯磺酰氯; 邻磺酰氯苯甲酸甲酯; 2-(氯代磺酰基)苯甲酸甲酯; 2-(磺酰氯)苯甲酸甲酯
• 英文别名: o-methoxy-carbonylbenzenesulfonyl chloride; ortho-carbomethoxybenzenesulfonyl chloride; 2-methoxycarbonyl-benzenesulphonyl chloride; Methyl 2-(chlorosulfonyl)benzoate; methyl 2-chlorosulfonylbenzoate; Benzoic acid, 2-(chlorosulfonyl)-, methyl ester; methoxycarbonylbenzene-o-sulfonyl chloride; Benzoic acid,2-(chlorosulfonyl)-,methyl ester; 2-chlorosulfonylbenzoic acid methyl ester; MFCD00009797

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 344.8±25.0 °C at 760 mmHg
• 熔点: 62-63 °C
• 分子式: C₈H₇ClO₄S
• 分子量: 234.657
• 闪点: 162.3±23.2 °C
• 精确质量: 233.975357
• PSA: 68.82000
• LogP: 1.97
• 外观性状: 固体
• 蒸汽压: 0.0±0.8 mmHg at 25°C
• 折射率: 1.541
• 储存条件:

  0-6℃

• 稳定性:

  如果遵照规格使用和储存则不会分解

  避免接触水分/潮湿，氧化物，碱
• 水溶解性: reacts
• 分子结构:

  1、 摩尔折射率：51.51

  2、 摩尔体积（m³/mol）：163.9

  3、 等张比容（90.2K）：426.0

  4、 表面张力（dyne/cm）：45.5

  5、 极化率（10 ^-24cm ³）：20.42

• 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:4

  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68.8

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:306

  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：未确定

  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）：59-64

  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,20ºC）：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：未确定

MSDS

Name: Methyl 2-(chlorosulfonyl)benzoate tech. 90% Material Safety Data Sheet Synonym: CB CAS: 26638-43-7 Section 1 - Chemical Product MSDS Name:Methyl 2-(chlorosulfonyl)benzoate tech. 90% Material Safety Data Sheet Synonym:CB Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 26638-43-7 Methyl 2-(chlorosulfonyl)benzoate, tec 90.0 unlisted Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.Moisture sensitive.Corrosive. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. Inhalation: May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. Causes chemical burns to the respiratory tract. 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. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes). Skin: Get medical aid immediately. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes. Ingestion: Do not induce vomiting. 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 breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. 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: Do NOT use water directly on fire. 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: 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. Minimize dust generation and accumulation. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use with adequate ventilation. Discard contaminated shoes. Storage: Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.) 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# 26638-43-7: 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: Solid Color: Not available. Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 59.00 - 64.00 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: C8H7ClO4S Molecular Weight: 234.65 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 26638-43-7 unlisted. LD50/LC50: Not available. Carcinogenicity: Methyl 2-(chlorosulfonyl)benzoate, tech. - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Other No information available. 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 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 26638-43-7: No information available. Canada CAS# 26638-43-7 is listed on Canada's NDSL List. CAS# 26638-43-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 26638-43-7 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水是稍微危害的，若无政府许可，勿将材料排入周围环境

安全

• 危害码 (欧洲): C
• 风险声明 (欧洲): R14;R29;R34
• 安全声明 (欧洲): S45-S36/37/39-S30-S26-S22
• 危险品运输编码: 3261
• 包装等级: III
• 危险类别: 8
• 海关编码: 2916399090

合成路线

7446-09-5 134-20-3 ~% 26638-43-7

文献：Bayer Aktiengesellschaft Patent: US4725303 A1, 1988 ;

57897-77-5 ~% 26638-43-7

文献：Waser, Jerome; Gaspar, Boris; Nambu, Hisanori; Carreira, Erick M. Journal of the American Chemical Society, 2006 , vol. 128, # 35 p. 11693 - 11712

146335-12-8 ~93% 26638-43-7

文献：Kim; Ko Synthesis, 1992 , # 12 p. 1203 - 1204

81-08-3 ~% 26638-43-7

文献：Waser, Jerome; Gaspar, Boris; Nambu, Hisanori; Carreira, Erick M. Journal of the American Chemical Society, 2006 , vol. 128, # 35 p. 11693 - 11712

5459-63-2 ~% 26638-43-7

文献：Maumee Devel.Co. Patent: US2667503 , 1951 ;

119300-80-0 ~% 26638-43-7

文献：Basler Chem.Fabr. Patent: DE124407 ;

67-56-1 34684-21-4 ~% 26638-43-7

文献：Cobb American Chemical Journal, 1906 , vol. 35, p. 502

上下游产品

上游产品  6
7446-09-5 134-20-3 81-08-3 5459-63-2
67-56-1 34684-21-4
下游产品  10
57683-71-3 145865-90-3 143850-22-0 22185-11-1
632-25-7 74222-97-2 74223-64-6 15448-99-4
145865-88-9 145865-87-8

制备

由邻氨基苯甲酸甲酯经重氮化、置换、氯化而得。将邻氨基苯甲酸甲酯和亚硝酸钠溶液混合均匀后，滴加到10℃左右的硫酸和盐酸混合液中，控制温度不超过25℃，搅拌反应至碘化钾淀粉液呈淡紫色。将此重氮液冷至10℃，加入硫酸铜，全部溶解后通入二氧化硫，温度24℃左右，约1h析出邻亚磺酸苯甲酸甲酯。至3h后，用H酸试纸测试应无色为置换终点。加入甲苯，在30-35℃温度下通氯至终点（2%联苯胺乙醇试液测试显深墨绿色）。静置，分取有机层，得邻磺酰氯苯甲酸甲酯甲苯溶液，脱溶后即为成品。

海关

海关编码	2916399090
中文概述	2916399090 其他芳香一元羧酸. 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:30.0%
申报要素	品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
Summary	2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%