455-16-3

• 常用中文名：对甲苯磺酰气氟
• 常用英文名：p-toluenesulfonyl fluoride
• CAS号：455-16-3
• 分子式：C₇H₇FO₂S
• 分子量：174.193
• 相关类别： 化学试剂 有机试剂 磺酰卤化物
• 发布时间：2018-08-15 10:25:07
• 更新时间：2024-01-02 12:35:56
• 下载msds

名称

• 中文名: 对甲基苯磺酰氟
• 英文名: p-toluenesulfonyl fluoride
• 中文别名: 对甲苯磺酰氟
• 英文别名: p-toluenesulfonyl fluoride; Benzenesulfonyl fluoride, 4-methyl-; 4-Methylbenzenesulfonyl fluoride; MFCD00007421; EINECS 207-238-6

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 233.0±0.0 °C at 760 mmHg
• 熔点: 41-42 °C(lit.)
• 分子式: C₇H₇FO₂S
• 分子量: 174.193
• 闪点: 105.6±0.0 °C
• 精确质量: 174.015076
• PSA: 42.52000
• LogP: 2.74
• 外观性状: 灰白色或米色固体
• 蒸汽压: 0.1±0.4 mmHg at 25°C
• 折射率: 1.503
• 储存条件:

  密封保存，放置于通风、干燥地方，避免于其他氧化物接触。

• 分子结构:

  1、 摩尔折射率：40.30

  2、 摩尔体积（cm³/mol）：136.4

  3、 等张比容（90.2K）：330.6

  4、 表面张力（dyne/cm）：34.5

  5、 极化率（10^-24cm³）：15.97

• 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: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:11

  8.表面电荷:0

  9.复杂度:209

  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/ m³,25/4℃）：未确定

  3. 相对蒸汽密度（g/cm³,空气=1）：未确定

  4. 熔点（ºC）：41-42

  5. 沸点（ºC,常压）：112

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºF）：222

  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,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：未确定

MSDS

Name: P-Toluenesulfonyl Fluoride 97% Material Safety Data Sheet Synonym: 4-Methylbenzenesulfonyl Fluoride CAS: 455-16-3 Section 1 - Chemical Product MSDS Name:P-Toluenesulfonyl Fluoride 97% Material Safety Data Sheet Synonym:4-Methylbenzenesulfonyl Fluoride Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 455-16-3 P-Toluenesulfonyl Fluoride 97% 207-238-6 Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.Moisture sensitive.Corrosive. Potential Health Effects Eye: Causes eye burns. May cause chemical conjunctivitis and corneal damage. Skin: Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color. Ingestion: May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause cardiac disturbances. May cause central nervous system effects. May cause systemic effects. 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. Aspiration may lead to pulmonary edema. May cause cardiac abnormalities. May cause systemic effects. Central nervous system effects, which appear to predominate in acute cases are characterized by abnormal fatigue, memory difficulties and dizziness. Chronic: Effects may be delayed. Section 4 - FIRST AID MEASURES Eyes: 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: Never give anything by mouth to an unconscious person. 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 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. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Do NOT use water directly on fire. Use water spray to cool fire-exposed containers. Use foam, dry chemical, or carbon dioxide. Do NOT get water inside containers. 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. Do not get water inside containers. Section 7 - HANDLING and STORAGE Handling: Use only in a well-ventilated area. 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. Do not allow contact with water. Discard contaminated shoes. Keep from contact with moist air and steam. Storage: Keep container closed when not in use. Corrosives area. Store protected from moisture. 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# 455-16-3: United States OSHA: 2.5 mg/m3 TWA (as F) (listed under Fluorides 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: Crystalline powder Color: white to light beige Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 112 deg C @ 16.00mmHg Freezing/Melting Point: 41.00 - 42.00 deg C Autoignition Temperature: Not applicable. Flash Point: 105 deg C ( 221.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: hydrolysis Specific Gravity/Density: Molecular Formula: C7H7FO2S Molecular Weight: 174.19 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. May decompose on exposure to moist air or water. Conditions to Avoid: Incompatible materials, dust generation, moisture, excess heat, strong oxidants. Incompatibilities with Other Materials: Moisture, oxidizing agents, strong bases. Hazardous Decomposition Products: Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 455-16-3: XT8050000 LD50/LC50: Not available. Carcinogenicity: P-Toluenesulfonyl Fluoride - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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, N.O.S.* Hazard Class: 8 UN Number: 1759 Packing Group: II IMO Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing Group: II RID/ADR Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing group: II 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# 455-16-3: No information available. Canada CAS# 455-16-3 is listed on Canada's NDSL List. CAS# 455-16-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 455-16-3 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 急性毒性：大鼠经腹腔LD50：200mg/kg，除致死剂量外无详细说明； 大鼠经口TDLo：500 mg/kg除致死剂量外无详细说明； 生态学数据: 若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : XT8050000 CHEMICAL NAME : p-Toluenesulfonyl fluoride CAS REGISTRY NUMBER : 455-16-3 BEILSTEIN REFERENCE NO. : 2208423 LAST UPDATED : 199701 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C7-H7-F-O2-S MOLECULAR WEIGHT : 174.20 WISWESSER LINE NOTATION : WSFR D1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,1,1953 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NATUAS Nature. (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736) V.1- 1869- Volume(issue)/page/year: 173,33,1954

安全

• 符号: GHS05, GHS07
• 信号词: Danger
• 危害声明: H302 + H312 + H332-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): R20/21/22;R34
• 安全声明 (欧洲): S22-S26-S27-S36/37/39-S45
• 危险品运输编码: UN 3261 8/PG 2
• WGK德国: 3
• RTECS号: XT8050000
• 包装等级: II
• 危险类别: 8
• 海关编码: 2904909090

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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%