33963-55-2

• 常用中文名：2-甲砜基苯甲酸
• 常用英文名：4-Methylsulfonyl benzoic acid
• CAS号：33963-55-2
• 分子式：C₈H₈O₄S
• 分子量：200.212
• 相关类别： 化学试剂 有机试剂 芳香酸
• 发布时间：2018-04-27 08:00:00
• 更新时间：2024-01-09 12:23:55

名称

• 中文名: 2-甲基磺酰苯甲酸
• 英文名: 2-methylsulfonylbenzoic acid
• 中文别名: 2-甲砜基苯甲酸; 2-(甲基磺酰)苯甲酸
• 英文别名: 4-Methylsulfonyl benzoic acid; methylsulfonylbenzoic acid; 4-(Methylsulfonyl)benzoic acid; EINECS 223-765-5; Benzoic acid, 4-(methylsulfonyl)-; o-methylsulphonylbenzoic acid; 2-Methylsulphonylbenzoic acid; Benzoic acid, 2-(methylsulfonyl)-; 2-methanesulfonyl-benzoic acid; 2-(Methylsulfonyl)benzoic acid; MFCD00216492

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 437.8±37.0 °C at 760 mmHg
• 熔点: 136-141 °C
• 分子式: C₈H₈O₄S
• 分子量: 200.212
• 闪点: 218.6±26.5 °C
• 精确质量: 200.014328
• PSA: 79.82000
• LogP: 0.18
• 外观性状: 灰白色固体
• 蒸汽压: 0.0±1.1 mmHg at 25°C
• 折射率: 1.560
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  常温常压下稳定

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.7

  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:288

  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：白色至亮黄色粉末

  2. 密度（g/mL,20℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：136-141

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,KPa）：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（Pa,20ºC）：未确定

  12. 饱和蒸气压（KPa,20ºC）：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：微溶于水

MSDS

Name: 2-Methylsulphonylbenzoic Acid 95+% Material Safety Data Sheet Synonym: None Known CAS: 33963-55-2 Section 1 - Chemical Product MSDS Name:2-Methylsulphonylbenzoic Acid 95+% Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 33963-55-2 2-Methylsulphonylbenzoic Acid 95+ unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Inhalation: Causes respiratory tract irritation. Can produce delayed pulmonary edema. Chronic: Effects may be delayed. 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. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. Do NOT use mouth-to-mouth resuscitation. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use agent most appropriate to extinguish fire. 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: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. 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: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 33963-55-2: 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 minimize contact with skin. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 137.00 - 140.00 deg C Autoignition Temperature: Not available. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: slightly soluble Specific Gravity/Density: Molecular Formula: C8H8O4S Molecular Weight: 200.22 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 33963-55-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Methylsulphonylbenzoic 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: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 33963-55-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 33963-55-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 33963-55-2 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): R36/37/38
• 安全声明 (欧洲): S37/39-S26
• 海关编码: 2916399090

合成路线

14092-00-3 ~% 33963-55-2

文献：Journal of the American Chemical Society, , vol. 79, p. 916

3724-10-5 ~% 33963-55-2

文献：Chemische Berichte, , vol. 59, p. 1078

19093-34-6 ~% 33963-55-2

文献：Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 282 - 285

69159-80-4 ~% 33963-55-2

文献：Justus Liebigs Annalen der Chemie, , vol. 499, p. 228,283

61670-15-3 ~% 33963-55-2

文献：Justus Liebigs Annalen der Chemie, , vol. 499, p. 228,283

623-11-0 61670-15-3 ~% 33963-55-2

文献：Journal of the American Chemical Society, , vol. 77, p. 527

49639-13-6 ~% 33963-55-2

文献：Canadian Journal of Chemistry, , vol. 51, p. 1704 - 1712

412345-55-2 ~% 33963-55-2 1209-81-0

文献：Chemische Berichte, , vol. 59, p. 1078 Chemische Berichte, , vol. 58, p. 2312,2313, 2317

上下游产品

上游产品  7
14092-00-3 3724-10-5 19093-34-6 61670-15-3
623-11-0 49639-13-6 412345-55-2
下游产品  6
89942-56-3 5395-89-1 3112-85-4 124-38-9
13736-79-3 632339-04-9

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%