| 中文名 | 3-(三氟甲基)氯甲酸苯酯 |
|---|---|
| 英文名 | [3-(trifluoromethyl)phenyl] carbonochloridate |
| 英文别名 |
3-(trifluoromethyl)phenyl carbonochloridate
MFCD02093719 m-(trifluoromethyl)phenyl chloroformate 3-trifluoromethyl phenyl chloroformate m-trifluorophenyl chloroformate 3-trifluoromethylphenyl chlorocarbonate |
| 密度 | 1.444g/cm3 |
|---|---|
| 沸点 | 201ºC at 760 mmHg |
| 分子式 | C8H4ClF3O2 |
| 分子量 | 224.56400 |
| 闪点 | 185 °F |
| 精确质量 | 223.98500 |
| PSA | 26.30000 |
| LogP | 3.44300 |
| 折射率 | 1.462 |
| 储存条件 | 2-8℃ |
| 稳定性 | 稳定 避免接触强氧化剂 |
| 分子结构 | 五、分子性质数据： 1、 摩尔折射率：42.79 2、 摩尔体积（m3/mol）：155.4 3、 等张比容（90.2K）：364.6 4、 表面张力（dyne/cm）：30.2 5、 介电常数：无可用的 6、 偶极距（10 -24cm 3）：无可用的 7、 极化率：16.96 |
| 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:5 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26.3 7.重原子数量:14 8.表面电荷:0 9.复杂度:217 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：液体 2. 密度（g/mL 25ºC）：1.42 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC常压）：未确定 5. 沸点（ºC）：194 6. 沸点（ºC,5.2kPa）：未确定 7. 折射率（n20/D）：未确定 8. 闪点（ºC，）：85 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（25℃）：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(mg/mL) ：未确定 |
|
Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product name: 3-(Trifluoromethyl)phenyl chloroformate Section2. HAZARDS IDENTIFICATION Classification of the substance or mixture According to Regulation (EC) No1272/2008 Acute toxicity, Inhalation (Category 3) Acute toxicity, Dermal (Category 3)
Acute toxicity, Oral (Category 3) Skin corrosion (Category 1B) According to European Directive 67/548/EEC as amended. Toxic by inhalation, in contact with skin and if swallowed. Causes burns. Label elements Pictogram Signal wordDanger Hazard statement(s) Toxic if swallowed. Toxic in contact with skin. Causes severe skin burns and eye damage. Toxic if inhaled. Precautionary statement(s) Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray. Wear 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. Immediately call a POISON CENTER or doctor/ physician. Hazard symbol(s) TToxic R-phrase(s) R23/24/25Toxic by inhalation, in contact with skin and if swallowed. 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 Formula: C8H4ClF3O2 Molecular Weight: 224,56 g/mol CAS-No.EC-No.Index-No.ClassificationConcentration 3-(Trifluoromethyl)phenyl chloroformate 95668-29-4--Acute Tox. 3; Skin Corr. 1B;- H301, H311, H314, H331 T, R23/24/25 - 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. Take victim immediately to hospital. 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 Wear respiratory protection. 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). Keep in suitable, closed containers for disposal. Section7. HANDLING AND STORAGE Precautions for safe handling Avoid contact with skin and eyes. 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. Recommended storage temperature: 2 - 8 °C 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, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Hygiene measures Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling the product. Section9. PHYSICAL AND CHEMICAL PROPERTIES Appearance Formliquid Colourcolourless Safety data pH no data available Melting pointno data available Boiling point194 °C at 1.013 hPa Flash point85 °C - closed cup Ignition temperatureno data available Lower explosion limitno data available Upper explosion limitno data available Density1,420 g/cm3 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, Hydrogen chloride gas, Hydrogen fluoride 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 Inhalation Toxic if inhaled. Material is extremely destructive to the tissue of the mucous membranes and upper respiratory tract. Ingestion Toxic if swallowed. Causes burns. SkinToxic 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 PBT and vPvB assessment no data available Other adverse effects no data available Section13. DISPOSAL CONSIDERATIONS Product This combustible material may be burned in a chemical incinerator equipped with an afterburner and scrubber. 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: 3277 Class: 6.1 (8)Packing group: II Proper shipping name: CHLOROFORMATES, TOXIC, CORROSIVE, N.O.S. (3-(Trifluoromethyl)phenyl chloroformate) IMDG UN-Number: 3277 Class: 6.1 (8)Packing group: IIEMS-No: F-A, S-B Proper shipping name: CHLOROFORMATES, TOXIC, CORROSIVE, N.O.S. (3-(Trifluoromethyl)phenyl chloroformate) Marine pollutant: No IATA UN-Number: 3277 Class: 6.1 (8)Packing group: II Proper shipping name: Chloroformates, toxic, corrosive, n.o.s. (3-(Trifluoromethyl)phenyl chloroformate) Section15. REGULATORY INFORMATION Causes severe skin burns and eye damage. Toxic if inhaled. Skin Corr.Skin corrosion TToxic R23/24/25Toxic by inhalation, in contact with skin and if swallowed. R34Causes burns. Further information 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 handling or from contact with the above product. See reverse side of invoice or packing slip for additional terms and conditions of sale. SECTION 16 - ADDITIONAL INFORMATION N/A |
| 符号 |
GHS05, GHS06 |
|---|---|
| 信号词 | Danger |
| 危害声明 | H301-H311-H314-H331 |
| 警示性声明 | P261-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) | T: Toxic; |
| 风险声明 (欧洲) | 23/24/25-34 |
| 安全声明 (欧洲) | 23-26-36/37/39-45 |
| 危险品运输编码 | UN 3277 6.1/PG 2 |
| 危险类别 | 6.1，8 |
|
~%
95668-29-4 |
| 文献：Journal of Medicinal Chemistry, , vol. 38, # 20 p. 3983 - 3994 |
