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| 中文名 | 4-氯苯基甲磺酰氯 |
|---|---|
| 英文名 | (4-chloro-phenyl)-methanesulfonyl chloride |
| 中文别名 |
4-氯-a-甲苯磺酰氯
4-氯-Alpha-甲苯磺酰氯 |
| 英文别名 |
4-CHLOROBENZYLSULFONYL CHLORIDE
4-Chloro-^a-toluenesulfonyl chloride 4-Chloro-Benzenemethanesulfonylchloride MFCD01631927 |
| 密度 | 1.499 g/cm3 |
|---|---|
| 沸点 | 321.2ºC at 760 mmHg |
| 熔点 | 93-97 °C |
| 分子式 | C7H6Cl2O2S |
| 分子量 | 225.09200 |
| 闪点 | 148ºC |
| 精确质量 | 223.94700 |
| PSA | 42.52000 |
| LogP | 3.48940 |
| 折射率 | 1.577 |
| 储存条件 | 2-8°C |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:2.5 2.氢键供体数量:0 3.氢键受体数量:2 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42.5 7.重原子数量:12 8.表面电荷:0 9.复杂度:224 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 | 一、物性数据 性状：不可用 密度（g/mL,25/4℃）：不可用 相对蒸汽密度（g/mL,空气=1）：不可用 熔点（ºC）：93-97 沸点（ºC,常压）：不可用 沸点（ºC,5.2kPa）：不可用 折射率：不可用 闪点（ºC）：不可用 比旋光度（º）：不可用 自燃点或引燃温度（ºC）：不可用 蒸气压（kPa,25ºC）：不可用 饱和蒸气压（kPa,60ºC）：不可用 燃烧热（KJ/mol）：不可用 临界温度（ºC）：不可用 临界压力（KPa）：不可用 油水（辛醇/水）分配系数的对数值：不可用 爆炸上限（%,V/V）：不可用 爆炸下限（%,V/V）：不可用 溶解性：不可用 |
Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 14 29 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Reacts violently with water. Contact with water liberates toxic gas. Causes burns.Water-reactive. 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: Chronic exposure may cause effects similar to those of acute exposure. Section 4 - FIRST AID MEASURES Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately. Skin: If water-reactive products are embedded in the skin, no water should be applied. The embedded products should be covered with a light oil. In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid immediately. Wash clothing before reuse. Ingestion: If swallowed, do NOT induce vomiting. Get medical aid immediately. If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person. 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. Water Reactive. Material will react with water and may release a flammable and/or toxic gas. Extinguishing Media: DO NOT USE WATER! Do NOT get water inside containers. Contact professional fire-fighters immediately. Use 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: Do not allow water to get into the container because of violent reaction. Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes. Keep from contact with moist air and steam. Storage: Keep container closed when not in use. Keep away from water. Store protected from moisture. Store under an inert atmosphere. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use explosion-proof ventilation equipment. Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Exposure Limits CAS# 6966-45-6: 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: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 89.5-92.5 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: Specific Gravity/Density: Molecular Formula: C7H6Cl2O2S Molecular Weight: 225.095 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Combines vigorously or explosively with water. Reacts with water to form hydrogen chloride, a toxic and corrosive gas. Conditions to Avoid: Dust generation, exposure to moist air or water. Incompatibilities with Other Materials: Oxidizing agents, bases, amines, water. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, oxides of sulfur, carbon dioxide, chlorine. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 6966-45-6 unlisted. LD50/LC50: Not available. Carcinogenicity: (4-Chlorophenyl)methanesulfonyl chloride - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Ecotoxicity: Fish: Pseudomonas putida:Fish: Pseudomonas putida:Fish: Pseudomonas putida: 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, WATER-REACTIVE, N.O.S. Hazard Class: 8 UN Number: 3096 Packing Group: II IMO Shipping Name: CORROSIVE SOLID, WATER-REACTIVE, N.O.S. Hazard Class: 8 UN Number: 3096 Packing Group: II RID/ADR Shipping Name: CORROSIVE SOLID, WATER-REACTIVE, N.O.S. Hazard Class: 8 UN Number: 3096 Packing group: II Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 14 Reacts violently with water. R 29 Contact with water liberates toxic gas. R 34 Causes burns. Safety Phrases: S 6 Keep under nitrogen. S 22 Do not breathe dust. S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 30 Never add water to this product. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 6966-45-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 6966-45-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 6966-45-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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毒理学数据: 二、毒理学数据： 急性毒性：不可用。 生态学数据: 三、生态学数据： 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。
|
| 符号 |
GHS05, GHS07 |
|---|---|
| 信号词 | Danger |
| 危害声明 | H302-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 |
| 安全声明 (欧洲) | S26-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 | 2904909090 |
|
~%
6966-45-6 |
| 文献：Journal of the American Chemical Society, , vol. 109, # 24 p. 7472 - 7477 |
|
~99%
6966-45-6 |
| 文献：Nishiguchi, Atsuko; Maeda, Kazuhiro; Miki, Shokyo Synthesis, 2006 , # 24 p. 4131 - 4134 |
|
~65%
6966-45-6 |
| 文献：Nishiguchi, Atsuko; Maeda, Kazuhiro; Miki, Shokyo Synthesis, 2006 , # 24 p. 4131 - 4134 |
|
~%
6966-45-6 |
| 文献：US2004/58971 A1, ; |
|
~%
6966-45-6 |
| 文献：Journal fuer Praktische Chemie (Leipzig), , vol. 23, p. 38 - 42 |
|
~%
6966-45-6 |
| 文献：US2277325 , ; |
|
~%
6966-45-6 |
| 文献：Journal of the Chemical Society [Section] C: Organic, , p. 1265 - 1267 |
| 上游产品 7 | |
|---|---|
| 下游产品 7 | |
| 海关编码 | 2904909090 |
|---|---|
| 中文概述 | 2904909090 其他烃的磺化、硝化、亚硝化衍生物（不论是否卤化）. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
![BENZENE, 1-CHLORO-4-[(4-METHYLPHENYL)METHYL]-结构式](https://www.chemsrc.com/caspic/334/30203-87-3.png)
