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| 中文名 | α-氯代苯乙酸乙酯 |
|---|---|
| 英文名 | Ethyl 2-chloro-2-phenylacetate |
| 中文别名 |
1-氯-1-苯乙酸乙酯
对氯苯乙酸乙酯 Alpha-氯苯基乙酸乙酯 |
| 英文别名 |
Ethyl α-chlorophenylacetate
ethyl 2-chloro-2-phenylacetate EINECS 225-315-2 Benzeneacetic acid, α-chloro-, ethyl ester Ethyl chloro(phenyl)acetate MFCD00013675 Benzenacetic acid, α-chloro-, ethyl ester |
| 密度 | 1.2±0.1 g/cm3 |
|---|---|
| 沸点 | 258.0±20.0 °C at 760 mmHg |
| 分子式 | C10H11ClO2 |
| 分子量 | 198.646 |
| 闪点 | 118.0±17.2 °C |
| 精确质量 | 198.044754 |
| PSA | 26.30000 |
| LogP | 2.67 |
| 外观性状 | 无色透明液体 |
| 蒸汽压 | 0.0±0.5 mmHg at 25°C |
| 折射率 | 1.517 |
| 储存条件 | 密封保存 |
| 稳定性 | 避免强氧化剂 |
| 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:2 4.可旋转化学键数量:4 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:13 8.表面电荷:0 9.复杂度:164 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:1 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/mLat 25°C）：1.157 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,0.3mmHg）：68-72 7. 折射率（n20/D）：1.515 8. 闪点（ºC）：110 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（mmHg,37ºC）：未确定 12. 饱和蒸气压（kPa,114.4 ºC）：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（MPa）：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 |
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Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product identifiers : Ethyl α-chlorophenylacetate Product name CAS-No.: 4773-33-5 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) S26In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39Wear suitable 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 Synonyms: 1-Chloro-1-phenylacetic acid ethyl ester Formula: C10H11ClO2 Molecular Weight: 198,65 g/mol ComponentConcentration Ethyl chlorophenylacetate CAS-No.4773-33-5- EC-No.225-315-2 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. FIRE-FIGHTING 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 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 uses 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 68 - 72 °C at 0,4 hPa - lit. boiling range g) Flash point> 110 °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 density1,157 g/cm3 at 25 °C n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Autoignitionno 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 no data available 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 Inhalation May 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. 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 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: 3265IMDG: 3265IATA: 3265 UN proper shipping name ADR/RID: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (Ethyl chlorophenylacetate) IMDG: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (Ethyl chlorophenylacetate) IATA:Corrosive liquid, acidic, organic, n.o.s. (Ethyl chlorophenylacetate) Transport hazard class(es) ADR/RID: 8IMDG: 8IATA: 8 Packaging group ADR/RID: IIIMDG: IIIATA: II Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available SECTION 15 - REGULATORY INFORMATION N/A SECTION 16 - ADDITIONAL INFORMATION N/A |
| 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) | S26-S37/39-S45 |
| 危险品运输编码 | UN 3265 8/PG 2 |
| WGK德国 | 3 |
| 海关编码 | 2916399090 |
1.制法：
扁桃酸乙酯(3)：于装有搅拌器、回流冷凝器的反应瓶中，加入扁桃酸(2)152g（1.0mol），无水乙醇300mL，通入干燥的氯化氢气体约10g，搅拌下回流反应5h。冷后倒入1000g冰水中，用饱和碳酸氢钠溶液中和至碱性，乙醚提取(300mL×2)。合并乙醚溶液，水洗，无水硫酸钠干燥，回流乙醚，得扁桃酸乙酯(3)147～154g,收率82%～86%。a-氯代苯乙酸乙酯(4):于反应瓶中加入上述扁桃酸乙酯(3)135g（0.75mol），59mL(98g,0.82mol)氯化亚砜，室温放置过夜。加热回流30min。冷后倒入750mL冰水中，乙醚提取(300mL×2)。合并乙醚溶液，依次用饱和碳酸氢钠、水洗两次，无水硫酸钠干燥，回收乙醚，得a-氯代苯乙酸乙酯(4)121～127g，收率81%～85%。bp134～136℃/2.0kPa，nD201.5149。a-氯代苯乙酸(1):于装有搅拌器、回流冷凝器的反应瓶中，加入上述化合物(4)119g(0.6mol),冰醋酸238mL，1120mL的浓盐酸，加热回流1.5h。于100℃/2.0～2.67kPa浓缩至无液体蒸出。冷至室温。慢慢倒入1000mL冰冷的饱和碳酸氢钠溶液中，再慢慢加入固体碳酸氢钠使溶液呈碱性。乙醚提取两次。水层用浓盐酸酸化至pH＜4，乙醚提取(200mL×2),合并乙醚层，水洗两次，无水硫酸钠干燥，回收乙醚至干。残余物加入500mL50～60℃的浓盐酸，充分搅拌后，冷至室温，再冰浴冷却。抽滤，冷水洗涤，真空干燥，得a-氯代苯乙酸(1)82～84g，收率80%～82%。用3倍体积的己烷重结晶，得纯品，重结晶回收率90%～95%。[1]
| 海关编码 | 2916399090 |
|---|---|
| 中文概述 | 2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 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, 丙烯酸、丙烯酸盐或酯应报明包装 |
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |