122-35-0

• 常用中文名：2-苯氧基丙酰氯
• 常用英文名：Propanoyl chloride,2-phenoxy-
• CAS号：122-35-0
• 分子式：C₉H₉ClO₂
• 分子量：184.62000
• 相关类别： 有机原料 羧酸类化合物及衍生物 羧酸酰卤化物
• 发布时间：2018-09-03 11:35:30
• 更新时间：2024-01-12 10:11:01

名称

• 中文名: 2-苯氧基丙酰氯
• 英文名: 2-Phenoxypropionyl Chloride
• 英文别名: 2-Phenoxypropionyl chloride; EINECS 204-536-8; 2-phenoxypropanoyl chloride; MFCD00018810

物化性质

• 密度: 1,18 g/cm3
• 沸点: 246°C
• 分子式: C₉H₉ClO₂
• 分子量: 184.62000
• 闪点: >100°C
• 精确质量: 184.02900
• PSA: 26.30000
• LogP: 2.21930
• 外观性状: 液体;Colorless to Light yellow to Light orange clear liquid
• 蒸汽压: 0.0447mmHg at 25°C
• 折射率: 1.5132
• 储存条件: 存放于惰性气体之中;避免湿气 (分解)
• 分子结构:

  1、 摩尔折射率：47.03

  2、 摩尔体积（m³/mol）：155.3

  3、 等张比容（90.2K）：384.4

  4、 表面张力（dyne/cm）：37.5

  5、 介电常数：

  6、 偶极距（10 ^-24cm ³）：

  7、 极化率：18.64

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.9

  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:3

  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:12

  8.表面电荷:0

  9.复杂度:153

  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

MSDS

2-Phenoxypropionyl Chloride Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:2-Phenoxypropionyl Chloride Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDS Category 1 Corrosive to metals HEALTH HAZARDS Category 1C Skin corrosion/irritation Serious eye damage/eye irritationCategory 1 Not classified ENVIRONMENTAL HAZARDS GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordDanger Hazard statementsMay be corrosive to metals Causes severe skin burns and eye damage Precautionary statements: [Prevention]Keep only in original container. Do not breathe dust/fume/gas/mist/vapours/spray. Wash hands thoroughly after handling. 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. 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. Absorb spillage to prevent material damage. [Storage]Store locked up. [Disposal]Dispose of contents/container through a waste management company authorized by the local government. 2-Phenoxypropionyl Chloride Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:2-Phenoxypropionyl Chloride Percent:>95.0%(T) CAS Number:122-35-0 Chemical Formula:C9H9ClO2 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. Ingestion:Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT 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: Unsuitable extinguishing Water media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to from the chemical:generate poisonous fume. Precautions for firefighters: 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: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use extra personal protective equipment (self-contained breathing apparatus). Keep Personal precautions, 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 a suitable absorbent (e.g. rag, dry sand, earth, saw-dust). containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected up: 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 hazards:devices should be prepared in case of a fire. Use spark-proof tools and explosion- proof equipment. Section7. HANDLING AND STORAGE Precautions for safe handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent generation of vapour or mist. Wash hands and face thoroughly after handling. Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol will be generated. Avoid contact with skin, eyes and clothing. Advice on safe handling: May develop pressure. Open carefully. Use corrosive resistant equipment. 2-Phenoxypropionyl Chloride Section7. HANDLING AND STORAGE Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store under inert gas. Protect from moisture. Store locked up. Store away from incompatible materials such as oxidizing agents. Moisture-sensitive Packaging material:Comply with laws. Keep only in original container. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust. Also install safety shower and eye bath. 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. Impervious gloves. Hand protection: 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 Physical state (20°C):Liquid Form:Clear Colorless - Pale yellow Colour: Odour:No data available pH: No data available Melting point/freezing point:No data available 106°C/0.7kPa Boiling point/range: Flash point:No data available Flammability or explosive limits: No data available Lower: Upper:No data available 1.18 Relative density: Solubility(ies): No data available [Water] [Other solvents]No data available Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous Decomposes in contact with water and liberates toxic gases. reactions: Conditions to avoid:Moisture Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen chloride products: Section11. TOXICOLOGICAL INFORMATION No data available Acute Toxicity: Skin corrosion/irritation: No data available No data available Serious eye damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: No data available IARC = NTP =No data available 2-Phenoxypropionyl Chloride Section11. TOXICOLOGICAL INFORMATION Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available No data available Bioaccumulative potential(BCF): Mobility 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:8: Corrosive. UN-No:3265 Proper shipping name:Corrosive liquid, acidic, organic, n.o.s. Packing group:III Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): C
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S26-S36/37/39-S45
• 危险品运输编码: 3265
• 包装等级: II
• 危险类别: 8
• 海关编码: 2918990090

合成路线

940-31-8 ~99% 122-35-0

文献：Apotex, Inc. Patent: US5900485 A1, 1999 ;

108-95-2 ~% 122-35-0

文献：Journal of the American Chemical Society, , vol. 106, p. 8161

139-02-6 ~% 122-35-0

文献：Journal of the Indian Chemical Society, , vol. 67, # 9 p. 775 - 776

100-67-4 ~% 122-35-0

文献：Roczniki Chemii, , vol. 15, p. 365,370 Chem. Zentralbl., , vol. 107, # I p. 1219

海关

海关编码	2918990090
中文概述	2918990090. 其他含其他附加含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 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	2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%