54403-98-4

• 常用中文名：2-溴-4-(三氟甲基)苯磺酰氯
• 常用英文名：2-bromo-4-(trifluoromethyl)benzenesulfonyl chloride
• CAS号：54403-98-4
• 分子式：C₇H₃BrClF₃O₂S
• 分子量：323.515
• 发布时间：2018-08-02 09:06:57
• 更新时间：2024-01-05 14:57:12

名称

• 中文名: 2-溴-4-三氟甲基硫酰氯
• 英文名: 2-bromo-4-(trifluoromethyl)benzenesulfonyl chloride
• 中文别名: 2-溴-4-(三氟甲基)苯磺酰氯
• 英文别名: Benzenesulfonyl chloride, 2-bromo-4-(trifluoromethyl)-; WSGR BE DXFFF; 2-Bromo-4-(trifluoromethyl)benzenesulphonyl chloride; MFCD03094394; 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride

物化性质

• 密度: 1.8±0.1 g/cm3
• 沸点: 294.0±40.0 °C at 760 mmHg
• 分子式: C₇H₃BrClF₃O₂S
• 分子量: 323.515
• 闪点: 131.6±27.3 °C
• 精确质量: 321.867767
• PSA: 42.52000
• LogP: 3.18
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.516
• 储存条件:

  保持贮藏器密封

  放入紧密的贮藏器内，储存在阴凉，干燥的地方

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：53.11

  2、 摩尔体积（cm³/mol）：175.7

  3、 等张比容（90.2K）：435.2

  4、 表面张力（dyne/cm）：37.5

  5、 极化率：21.05

  6、 介电常数：未确定

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.5

  2.氢键供体数量:0

  3.氢键受体数量:5

  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:15

  8.表面电荷:0

  9.复杂度:324

  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：黄色液体

  2. 密度（g/mL,25/4℃）：1.865

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：无可用

  5. 沸点（ºC,常压）：235-236

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：35

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product name: 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride Section2. HAZARDS IDENTIFICATION Classification of the substance or mixture According to Regulation (EC) No1272/2008 Flammable liquids (Category 3) Skin corrosion (Category 1B) According to European Directive 67/548/EEC as amended. Flammable. Causes burns. Label elements Pictogram Signal wordDanger Hazard statement(s) H226Flammable liquid and vapour. H314Causes severe skin burns and eye damage. Precautionary statement(s) P280Wear protective gloves/ protective clothing/ eye protection/ face protection. P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310Immediately call a POISON CENTER or doctor/ physician. Hazard symbol(s) CCorrosive R-phrase(s) R10Flammable. R34Causes burns. S-phrase(s) S26In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S27Take off immediately all contaminated clothing. S36/37/39Wear suitable protective clothing, gloves and eye/face protection. S45In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Other hazards - none Section3. COMPOSITION/INFORMATION ON INGREDIENTS Formula: C7H3BrClF3O2S Molecular Weight: 323,51 g/mol CAS-No.EC-No.Index-No.ClassificationConcentration 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride 54403-98-4-- Flam. Liq. 3; Skin Corr. 1B;- H226, H314 C, R10 - R34 For the full text of the H-Statements mentioned in this Section, see Section 16. Section4. FIRST AID MEASURES General advice Consult a physician. Show this safety data sheet to the doctor in attendance. If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician. Section5. FIRE-FIGHTING MEASURES Suitable extinguishing media For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Special protective equipment for fire-fighters Wear self contained breathing apparatus for fire fighting if necessary. Further information Use water spray to cool unopened containers. Section6. ACCIDENTAL RELEASE MEASURES Personal precautions Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to form explosive concentrations. Vapours can accumulate in low areas. Environmental precautions Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Methods and materials for containment and cleaning up Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations (see section 13). Section7. HANDLING AND STORAGE Precautions for safe handling Avoid inhalation of vapour or mist. Keep away from sources of ignition - No smoking. Take measures to prevent the build up of electrostatic charge. Conditions for safe storage Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Store in cool place. Store under inert gas. Moisture sensitive. Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION Personal protective equipment Respiratory protection Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Hand protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Eye protection Tightly fitting safety goggles. Faceshield (8-inch minimum). Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin and body protection Complete suit protecting against chemicals, Flame retardant antistatic protective clothing, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Hygiene measures Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Section9. PHYSICAL AND CHEMICAL PROPERTIES Appearance Formviscous Colouryellow Safety data pHno data available Melting pointno data available Boiling point235 - 236 °C - lit. Flash point35 °C - closed cup Ignition temperatureno data available Lower explosion limit no data available Upper explosion limit no data available Density1,865 g/cm3 at 25 °C Water solubilityno data available Section10. STABILITY AND REACTIVITY Chemical stability Stable under recommended storage conditions. Conditions to avoid Heat, flames and sparks. Materials to avoid Strong oxidizing agents Hazardous decomposition products Hazardous decomposition products formed under fire conditions. - Carbon oxides, Sulphur oxides, Hydrogen fluoride, Borane/boron oxides Section11. TOXICOLOGICAL INFORMATION Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitization no data available Germ cell mutagenicity no data available Carcinogenicity IARC: No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure no data available Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Potential health effects InhalationMay be harmful if inhaled. Material is extremely destructive to the tissue of the mucous membranes and upper respiratory tract. Ingestion May be harmful if swallowed. Causes burns. SkinMay be harmful if absorbed through skin. Causes skin burns. Eyes Causes eye burns. Signs and Symptoms of Exposure Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and skin., spasm, inflammation and edema of the larynx, spasm, inflammation and edema of the bronchi, pneumonitis, pulmonary edema, burning sensation, Cough, wheezing, laryngitis, Shortness of breath, Headache, Nausea Additional Information RTECS: Not available Section12. ECOLOGICAL INFORMATION Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available PBT and vPvB assessment no data available Other adverse effects no data available Section13. DISPOSAL CONSIDERATIONS Product Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Contaminated packaging Dispose of as unused product. Section14. TRANSPORT INFORMATION ADR/RID UN-Number: 2920 Class: 8 (3)Packing group: II Proper shipping name: CORROSIVE LIQUID, FLAMMABLE, N.O.S. (2-Bromo-4- (trifluoromethyl)benzenesulfonyl chloride) IMDG UN-Number: 2920 Class: 8 (3)Packing group: IIEMS-No: F-E, S-C Proper shipping name: CORROSIVE LIQUID, FLAMMABLE, N.O.S. (2-Bromo-4- (trifluoromethyl)benzenesulfonyl chloride) Marine pollutant: No IATA UN-Number: 2920 Class: 8 (3)Packing group: II Proper shipping name: Corrosive liquid, flammable, n.o.s. (2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride) SECTION 15 - REGULATORY INFORMATION N/A 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: GHS02, GHS05
• 信号词: Danger
• 危害声明: H226-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,Xi
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S26-S27-S36/37/39-S45
• 危险品运输编码: UN 2920 8/PG 2
• WGK德国: 3
• 包装等级: III
• 危险类别: 8
• 海关编码: 2904909090

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%