638-41-5

• 常用中文名：氯甲酸戊酯
• 常用英文名：Amyl Chloroformate
• CAS号：638-41-5
• 分子式：C₆H₁₁ClO₂
• 分子量：150.603
• 相关类别： 有机原料 羧酸类化合物及衍生物 羧酸酯及其衍生物
• 发布时间：2018-03-07 08:00:00
• 更新时间：2024-01-05 16:55:51

• 是有机合成的重要原料。

名称

• 中文名: 氯甲酸正戊酯
• 英文名: Pentyl chloroformate
• 中文别名: 氯甲酸戊酯
• 英文别名: Pentylchlorocarbonat; Chloroformic acid amyl ester; Formic acid, chloro-, pentyl ester; Pentyl chloridocarbonate; n-Pentyl chloroformate; Carbonochloridic acid, pentyl ester; Amyl Chloroformate; Pentyl carbonochloridate; Formic acid, chloro-, pentyl ester (8CI); EINECS 211-336-4; MFCD00058933

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 164.9±9.0 °C at 760 mmHg
• 分子式: C₆H₁₁ClO₂
• 分子量: 150.603
• 闪点: 47.7±11.9 °C
• 精确质量: 150.044754
• PSA: 26.30000
• LogP: 3.03
• 外观性状: 液体;Colorless to Almost colorless clear liquid
• 蒸汽压: 1.9±0.3 mmHg at 25°C
• 折射率: 1.426
• 储存条件:

  储存注意事项 储存于阴凉、干燥、通风良好的库房。远离火种、热源。库温不超过32℃，相对湿度不超过80%。保持容器密封。应与氧化剂、酸类、碱类、胺类等分开存放，切忌混储。采用防爆型照明、通风设施。禁止使用易产生火花的机械设备和工具。储区应备有泄漏应急处理设备和合适的收容材料。

• 稳定性:

  1.稳定性 稳定

  2.禁配物 强氧化剂、强酸、强碱、水蒸气、胺类

  3.避免接触的条件 受热、潮湿空气

  4.聚合危害 不聚合

  5.分解产物 氯化氢

• 分子结构:

  1、摩尔折射率：36.47

  2、摩尔体积（cm³/mol）：142.4

  3、等张比容（90.2K）：334.0

  4、表面张力（dyne/cm）：30.2

  5、极化率（10^-24cm³）：14.45

• 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:5

  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:9

  8.表面电荷:0

  9.复杂度:83.1

  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：无色液体

  2.沸点（℃）：60~62（2.0kPa）

  3.饱和蒸气压（kPa）：2.00（60~62℃）

  4.溶解性：不溶于水，溶于乙醚。

MSDS

Amyl Chloroformate Revision number: 1 SAFETY DATA SHEET Section1. BASE INFORMATION Product name:Amyl Chloroformate Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDS Flammable liquidsCategory 3 HEALTH HAZARDS Acute toxicity (Inhalation)Category 2 Category 1B Skin corrosion/irritation Serious eye damage/eye irritationCategory 1 Not classified ENVIRONMENTAL HAZARDS GHS label elements Pictograms or hazard symbols Signal wordDanger Hazard statementFlammable liquid and vapour Fatal if inhaled Causes severe skin burns and eye damage Precautionary statements Keep away from heat/sparks/open flames/hot surfaces. - No smoking. [Prevention] Keep container tightly closed. Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary measures against ignition by the static discharge and the spark. Do not breathe. Use only outdoors or in a well-ventilated area. Wash hands thoroughly after handling. Wear respiratory protection. Wear protective gloves/eye protection/face protection. [Response]IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing. Immediately call a POISON CENTER or doctor/physician. IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. Wash contaminated clothing before reuse. Immediately call a POISON CENTER or doctor/physician. Amyl Chloroformate Section2. HAZARDS IDENTIFICATION [Storage]Store in a well-ventilated place. Keep container tightly closed. Store locked up. [Disposal]Dispose of contents/container through a waste management company authorized by the local government Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):Amyl Chloroformate >97.0%(GC)(T) Percent: CAS Number:638-41-5 Chloroformic Acid Amyl Ester , Chloroformic Acid Pentyl Ester , Pentyl Chloroformate Synonyms: Chemical Formula:C6H11ClO2 Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Immediately call a POISON CENTER or doctor/physician. Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of soap and water. Immediately call a POISON CENTER or doctor/physician. Eye contact: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. Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT Ingestion: induce vomiting. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, carbon dioxide. media: Extinguishing media not to Water be used: Specific hazards:Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. Specific methods:Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Keep containers cool by spraying with water but NO direct contact with water. Eliminate all ignition sources if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use extra personal protective equipment (self-contained breathing apparatus). Keep protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non- emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Absorb spilled material in dry sand or inert absorbent before recovering it into an containment and cleaning airtight container. In case of large amount of spillage, contain a spill by bunding. up: Adhered or collected material should be promptly disposed of, in accordance with appropriate laws and regulations. Prevention of secondary Do not allow contact with water. Remove all sources of ignition. Fire-extinguishing devices should be prepared in case of a fire. Use spark-proof tools and explosion- hazards: proof equipment. Section7. HANDLING AND STORAGE Handling Amyl Chloroformate Section7. HANDLING AND STORAGE Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent generation of vapor or mist. Keep away from heat/sparks/open flame/hot surfaces. -No smoking. Take measures to prevent the build up of electrostatic charge. Use explosion-proof equipment. Wash hands and face thoroughly after handling. Use a closed system if possible. Use a ventilation, local exhaust if vapor or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. May develop pressure. Open carefully. Storage Storage conditions:Keep container tightly closed. Store in an explosion-poof refregerator. Store under inert gas. Protect from moisture. Store locked up. Store away from incompatible materials such as oxidizing agents. Packaging material:Law is followed. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Install a closed system or local exhaust. Also install safety shower and eye bath. Engineering controls: Personal protective equipment Respiratory protection: Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied air respirator, etc. Use respirators approved under appropriate government standards and follow local and national regulations. Hand protection:Impervious gloves. Eye protection:Safety goggles. A face-shield, if the situation requires. Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Liquid Physical state (20°C): Form:clear Color:Colorless - Almost colorless No data available Odor: pH: No data available Melting point/freezing point:No data available Boiling Point/Range:161 °C No data available Flash Point: Explosive limits Lower:No data available Upper:No data available Density:1.03 Solubility:No data available Section10. STABILITY AND REACTIVITY Stable under proper conditions. Stability: Reactivity:Decomposes in contact with water and liberates toxic gases. Conditions to avoid:Heat-sensitive, Moisture-sensitive Incompartible materials: oxidizing agents, bases, water Hazardous Decomposition Carbon monoxide, Carbon dioxide, Hydrogen chloride Products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Amyl Chloroformate Section11. TOXICOLOGICAL INFORMATION Carcinogenicity: No data available IARC = NTP =No data available No data available Reproductive toxicity: Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobillity in soil log Pow:No data available Soil adsorption (Koc):No data available Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:6.1: Toxic substance. Subsidiary risk:8: Corrosive. UN-No:3277 Proper shipping name:Chloroformates, toxic, corrosive, n.o.s. Packing group:II Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1.急性毒性 暂无资料 2.刺激性 暂无资料 生态学数据: 1.生态毒性 暂无资料 2.生物降解性 暂无资料 3.非生物降解性 暂无资料

安全

• 危害码 (欧洲): C
• 风险声明 (欧洲): R10
• 安全声明 (欧洲): S26-S36-S45
• 危险品运输编码: 3277
• 危险类别: 6.1
• 海关编码: 2915900090

合成路线

71-41-0 32315-10-9 ~83% 638-41-5

文献：Shi, Haibo; Hu, Weixiao; Sun, Yaquan Journal of Chemical Research, 2004 , # 10 p. 708 - 709

75-44-5 71-41-0 ~% 638-41-5

文献：Journal of Organic Chemistry USSR (English Translation), , vol. 22, # 12 p. 2278 - 2286 Zhurnal Organicheskoi Khimii, , vol. 22, # 12 p. 2540 - 2548

海关

海关编码	2915900090
中文概述	2915900090. 其他饱和无环一元羧酸及其酸酐（酰卤、过氧）化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 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
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%