445-05-6

• 常用中文名：5-氟-2-甲基苯磺酰氯
• 常用英文名：5-Fluoro-2-methylbenzenesulfonyl chloride
• CAS号：445-05-6
• 分子式：C₇H₆ClFO₂S
• 分子量：208.638
• 相关类别： 化学试剂 有机试剂 磺酰卤化物
• 发布时间：2018-09-22 17:28:15
• 更新时间：2024-01-09 18:59:59

名称

• 中文名: 5-氟-2-甲基苯磺酰氯
• 英文名: 5-fluoro-2-methylbenzenesulfonyl chloride
• 中文别名: 5-氟-2-甲基苯-1-磺酰氯
• 英文别名: 5-fluoro-2-methyl-benzenesulfonyl chloride; 2-methyl-5-fluorobenzenesulfonyl chloride; 2-methyl-5-fluorobenzene sulphonyl chloride; MFCD00052958; Benzenesulfonyl chloride, 5-fluoro-2-methyl-; 5-Fluoro-2-methylbenzenesulfonyl chloride; WSGR CF F1; 2-methyl-5-fluorophenylsulfonyl chloride; 5-Fluoro-o-toluenesulfonyl chloride; 5-Fluoro-2-methylbenzenesulphonyl chloride; 5-Fluoro-2-methylbenzene-1-sulfonyl chloride; 4-fluoro-toluene-2-sulfonyl chloride

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 266.1±28.0 °C at 760 mmHg
• 分子式: C₇H₆ClFO₂S
• 分子量: 208.638
• 闪点: 114.7±24.0 °C
• 精确质量: 207.976105
• PSA: 42.52000
• LogP: 2.87
• 外观性状: 透明无色液体
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.528
• 储存条件:

  储存于密封容器中

• 稳定性:

  稳定性：避免氧化物、水分、潮湿、碱、酒精、胺。

• 分子结构:

  1、摩尔折射率：41.43

  2、 摩尔体积（cm³/mol）：143.5

  3、 等张比容（90.2K）：352.1

  4、 表面张力（dyne/cm）：36.2

  5、 介电常数：无此用

  6、 偶极距（10 -24cm 3）：无此用

  7、 极化率：16.30

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.4

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:1

  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:247

  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： 灰黄色液体

  2. 密度（g/mL,25/4℃）：1.423

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：130-132

  5. 沸点（ºC,常压）：62

  6. 沸点（ºC,5.2kPa）： 未确定

  7. 折射率：n 20/D 1.5355(lit.)

  8. 闪点（ºF）：>230

  9. 比旋光度（º）： 未确定

  10. 自燃点或引燃温度（ºC）：>110

  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： 反应

MSDS

Name: 5-Fluoro-2-methylbenzenesulfonyl chloride 97% Material Safety Data Sheet Synonym: CAS: 445-05-6 Section 1 - Chemical Product MSDS Name:5-Fluoro-2-methylbenzenesulfonyl chloride 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 445-05-6 5-Fluoro-2-methylbenzenesulfonyl chlor 97 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: Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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 water spray, dry chemical, carbon dioxide, or chemical foam. 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. 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# 445-05-6: 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: Liquid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 170 - 172 deg C @ 40 mmHg 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: C7H6ClFO2S Molecular Weight: 208.5522 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, strong bases. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 445-05-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-Fluoro-2-methylbenzenesulfonyl chloride - 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 LIQUID, ACIDIC, ORGANIC, N.O.S.* Hazard Class: 8 UN Number: 3265 Packing Group: III IMO Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3265 Packing Group: III RID/ADR No information available. 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# 445-05-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 445-05-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 445-05-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 暂无 生态学数据: 1、对水有危害，勿将材料排入周围环境。

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: Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): C:Corrosive;
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S23-S26-S36/37/39-S45
• 危险品运输编码: UN 3265 8/PG 2
• WGK德国: 3
• 包装等级: II
• 危险类别: 8
• 海关编码: 2904909090

合成路线

367-29-3 ~% 445-05-6

文献：Malet-Sanz, Laia; Madrzak, Julia; Ley, Steven V.; Baxendale, Ian R. Organic and Biomolecular Chemistry, 2010 , vol. 8, # 23 p. 5324 - 5332

352-32-9 ~% 445-05-6

文献：Nizamuddin; Giri; Gupta Journal of the Indian Chemical Society, 1982 , vol. 59, # 3 p. 365 - 366

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海关

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%