4025-64-3

• 常用中文名：间氯磺酰基苯甲酸
• 常用英文名：3-chlorosulfonylbenzoic acid
• CAS号：4025-64-3
• 分子式：C₇H₅ClO₄S
• 分子量：220.630
• 相关类别： 化学试剂 有机试剂 磺酰卤化物
• 发布时间：2018-06-12 23:05:17
• 更新时间：2024-01-10 09:56:52
• 下载msds

名称

• 中文名: 3-氯磺酰基苯甲酸
• 英文名: 3-(Chlorosulfonyl)benzoic acid
• 中文别名: 间氯磺酰基苯甲酸; 3-氯磺酰苯甲酸; 间羧酸苯磺酰氯; 3-(氯磺酰基)苯甲酸
• 英文别名: Benzoic acid, 3-(chlorosulfonyl)-; 3-(Chlorosulfonyl)benzoic acid; MFCD00024877; EINECS 223-692-8; 3-chlorosulfonylbenzoic acid

物化性质

• 密度: 1.6±0.1 g/cm3
• 沸点: 402.5±28.0 °C at 760 mmHg
• 熔点: 128-130 °C(lit.)
• 分子式: C₇H₅ClO₄S
• 分子量: 220.630
• 闪点: 197.2±24.0 °C
• 精确质量: 219.959702
• PSA: 79.82000
• LogP: 2.06
• 外观性状: 白色粉末
• 蒸汽压: 0.0±1.0 mmHg at 25°C
• 折射率: 1.588
• 储存条件:

  避光，通风干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 水溶解性: 可溶于：甲醇
• 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:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积79.8

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:292

  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-(Chlorosulfonyl)benzoic acid 98% (titr.) Material Safety Data Sheet Synonym: CAS: 4025-64-3 Section 1 - Chemical Product MSDS Name:3-(Chlorosulfonyl)benzoic acid 98% (titr.) Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 4025-64-3 3-(Chlorosulfonyl)benzoic acid 98 223-692-8 Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.Moisture sensitive.The toxicological properties of this material have not been fully investigated.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. The toxicological properties of this substance have not been fully investigated. Inhalation: Causes chemical burns to the respiratory tract. 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. 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. 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: Get medical aid immediately. 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: 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. Keep container tightly closed. Do not get on skin or in eyes. Do not ingest or inhale. Discard contaminated shoes. 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# 4025-64-3: 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: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 137 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: decomposes Specific Gravity/Density: Molecular Formula: C7H5ClO4S Molecular Weight: 220.63 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, moisture, strong oxidants. 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# 4025-64-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-(Chlorosulfonyl)benzoic acid - 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 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# 4025-64-3: No information available. Canada CAS# 4025-64-3 is listed on Canada's NDSL List. CAS# 4025-64-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 4025-64-3 is listed on the TSCA inventory. 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

安全

• 符号: GHS05
• 信号词: Danger
• 危害声明: H314
• 警示性声明: P280-P305 + P351 + P338-P310
• 个人防护装备: Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
• 危害码 (欧洲): C:Corrosive;
• 风险声明 (欧洲): R22;R29;R34
• 安全声明 (欧洲): S26-S27-S36/37/39-S45
• 危险品运输编码: UN 3261 8/PG 2
• WGK德国: 3
• 包装等级: II
• 危险类别: 8
• 海关编码: 2916399090

合成路线

65-85-0 ~86% 4025-64-3

文献：Thurber, T. Craig; Prince, Anthony; Halpern, Otto Journal of Heterocyclic Chemistry, 1982 , vol. 19, p. 961 - 965

7790-94-5 65-85-0 ~87% 4025-64-3

文献：Khanfar, Mohammad A.; Quinti, Luisa; Wang, Hua; Choi, Soo Hyuk; Kazantsev, Aleksey G.; Silverman, Richard B. European Journal of Medicinal Chemistry, 2014 , vol. 76, p. 414 - 426

98-88-4 ~% 4025-64-3

文献：Gen.Aniline and Film Corp. Patent: US2273974 , 1939 ;

121-53-9 ~% 4025-64-3

文献：Limpricht; v.Uslar Justus Liebigs Annalen der Chemie, 1858 , vol. 106, p. 30 Full Text Show Details Wegscheider; Furcht Monatshefte fuer Chemie, 1902 , vol. 23, p. 1126,1128

25116-40-9 ~% 4025-64-3

文献：Meerwein et al. Chemische Berichte, 1957 , vol. 90, p. 841,843

7790-94-5 98-88-4 ~% 4025-64-3

文献：Gen. Aniline and Film Corp. Patent: US2273974 , 1939 ; Full Text Show Details Delfs in K. Ziegler Praeparative Organische Chemie, Tl. I (= Naturf. Med. Dtschld. 1939-1946, Bd. 36) S. 254

7446-11-9 98-88-4 ~% 4025-64-3

文献：Gen. Aniline and Film Corp. Patent: US2273974 , 1939 ; Full Text Show Details Delfs in K. Ziegler Praeparative Organische Chemie, Tl. I (= Naturf. Med. Dtschld. 1939-1946, Bd. 36) S. 254

上下游产品

上游产品  6
65-85-0 7790-94-5 98-88-4 121-53-9
25116-40-9 7446-11-9
下游产品  10
35623-11-1 4052-92-0 56542-67-7 4869-59-4
220798-42-5 213488-01-8 2548-44-9 3118-68-1
825-99-0 7311-93-5

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%