23165-49-3

• 常用中文名：2-氯-5-(三氟甲基)苯基硫异氰酸酯
• 常用英文名：2-chloro-5-(trifluoromethyl)phenyl isothiocyanate
• CAS号：23165-49-3
• 分子式：C₈H₃ClF₃NS
• 分子量：237.62900
• 相关类别： 化学试剂 有机试剂 硫氰酸盐/异硫氰酸酯
• 发布时间：2018-12-14 11:03:28
• 更新时间：2024-01-05 16:42:36

• 
  

名称

• 中文名: 2-氯-5-三氟甲基异硫氰酸苯酯
• 英文名: 1-chloro-2-isothiocyanato-4-(trifluoromethyl)benzene
• 中文别名: 2-氯-5-(三氟甲基)苯基异硫代氰酸酯
• 英文别名: MFCD00041055; 2-Chlor-5-trifluormethyl-phenylisothiocyanat

物化性质

• 密度: 1.447 g/mL at 25 °C(lit.)
• 沸点: 239 °C(lit.)
• 分子式: C₈H₃ClF₃NS
• 分子量: 237.62900
• 闪点: >230 °F
• 精确质量: 236.96300
• PSA: 44.45000
• LogP: 4.09310
• 蒸汽压: 0.00978mmHg at 25°C
• 折射率: n20/D 1.57(lit.)
• 储存条件:

  干性的保护气体下处置，

  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:

  如果遵照规格使用和储存则不会分解

  避免接触氧化物，水分/潮湿，酒精，胺

• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：51.98

  2、 摩尔体积（cm³/mol）：169.6

  3、 等张比容(90.2K)：401.2

  4、 表面张力(dyne/cm)：31.2

  5、 极化率(10-24cm³)：20.60

• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.8

  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44.4

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:250

  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，刺激性气味.

  2.密度（g/mL,25/4℃）：1.447

  3.相对蒸汽密度（g/mL,空气=1）：未确定

  4.熔点（ºC）：未确定

  5.沸点（ºC,常压）：未确定

  6.沸点（ºC,5.2kPa）：未确定

  7.折射率： 1.57

  8.闪点（ºC）： >230°F

  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

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product identifiers Product name: 2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate CAS-No.: 23165-49-3 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances Section2. HAZARDS IDENTIFICATION Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP] Skin corrosion (Category 1B) Classification according to EU Directives 67/548/EEC or 1999/45/EC Causes burns. Label elements Labelling according Regulation (EC) No 1272/2008 [CLP] Pictogram Signal wordDanger Hazard statement(s) 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. Supplemental Hazardnone Statements According to European Directive 67/548/EEC as amended. Hazard symbol(s) R-phrase(s) R34Causes burns. S-phrase(s) S23Do not breathe vapour. S26In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 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 Lachrymator. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substances Formula: C8H3ClF3NS Molecular Weight: 237,63 g/mol ComponentConcentration 2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate CAS-No.23165-49-3- Section4. FIRST AID MEASURES Description of 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. Most important symptoms and effects, both acute and delayed 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 Indication of any immediate medical attention and special treatment needed no data available Section5. FIREFIGHTING MEASURES Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides, nitrogen oxides (NOx), Sulphur oxides, Hydrogen chloride gas, Hydrogen fluoride Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available Section6. ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Environmental precautions Do not let product enter drains. Methods and materials for containment and cleaning up Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. Section7. HANDLING AND STORAGE Precautions for safe handling Avoid inhalation of vapour or mist. Normal measures for preventive fire protection. Conditions for safe storage, including any incompatibilities Store in cool place. 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. Specific end use(s) no data available Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Personal protective equipment Eye/face 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 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. Body Protection Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. 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). Section9. PHYSICAL AND CHEMICAL PROPERTIES Information on basic physical and chemical properties a) AppearanceForm: liquid Colour: orange b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingno data available point f) Initial boiling point and 239 °C - lit. boiling range g) Flash point113 °C - closed cup h) Evaporation rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative density1,447 g/cm3 at 25 °C n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Auto-ignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available Section10. STABILITY AND REACTIVITY Reactivity no data available Chemical stability no data available Possibility of hazardous reactions no data available Conditions to avoid Avoid moisture. Incompatible materials Strong oxidizing agents Hazardous decomposition products Other decomposition products - no data available Section11. TOXICOLOGICAL INFORMATION Information on toxicological effects 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. IngestionMay be harmful if swallowed. Causes burns. SkinMay be harmful if absorbed through skin. Causes skin burns. EyesCauses 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 Results of PBT and vPvB assessment no data available Other adverse effects no data available Section13. DISPOSAL CONSIDERATIONS Waste treatment methods Product 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 UN number ADR/RID: -IMDG: -IATA: 3334 UN proper shipping name ADR/RID: Not dangerous goods IMDG: Not dangerous goods IATA:Aviation regulated liquid, n.o.s. (2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate) Transport hazard class(es) ADR/RID: -IMDG: -IATA: 9 Packaging group ADR/RID: -IMDG: -IATA: - Environmental hazards ADR/RID: noIMDG Marine Pollutant: noIATA: no Special precautions for user no data available Section15. REGULATORY INFORMATION This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Safety, health and environmental regulations/legislation specific for the substance or mixture no data available Chemical Safety Assessment no data available Section16. OTHER INFORMATION Further information Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use only. The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Corporation and its Affiliates shall not be held liable for any damage resulting from handling or from contact with the above product. See and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

毒性和生态

毒理学数据: 生态学数据: 对水是稍微危害的，若无政府许可，勿将材料排入周围环境

安全

• 符号: GHS06
• 信号词: Danger
• 危害声明: H301-H315-H319-H335
• 警示性声明: P280-P301 + P310 + P330-P304 + P340 + P312-P305 + P351 + P338-P337 + P313
• 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;T: Toxic;
• 风险声明 (欧洲): R20/21/22;R36/37/38
• 安全声明 (欧洲): S23-S26-S36/37/39-S45-S26/37/39
• 危险品运输编码: 2810
• WGK德国: 3
• 包装等级: III
• 危险类别: 6.1
• 海关编码: 2930909090

制备

海关

海关编码	2930909090
中文概述	2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 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
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%