1572-99-2

• 常用中文名：2-氰基丙酸乙酯
• 常用英文名：Ethyl 2-cyanopropanoate
• CAS号：1572-99-2
• 分子式：C₆H₉NO₂
• 分子量：127.141
• 相关类别： 化学试剂 有机试剂 酯类 乙酯类化合物
• 发布时间：2018-04-22 08:00:00
• 更新时间：2024-01-09 00:56:14

名称

• 中文名: 2-氰基丙酸乙酯
• 英文名: ethyl 2-cyanopropionate
• 英文别名: 2-Cyanopropionic Acid Ethyl Ester; Propanoic acid, 2-cyano-, ethyl ester; Ethyl 2-cyanopropanoate; Ethyl 2-Cyanopropionate; EINECS 216-393-9

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 194.5±8.0 °C at 760 mmHg
• 分子式: C₆H₉NO₂
• 分子量: 127.141
• 闪点: 78.9±5.2 °C
• 精确质量: 127.063332
• PSA: 50.09000
• LogP: 0.41
• 蒸汽压: 0.4±0.4 mmHg at 25°C
• 折射率: 1.419
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：31.49

  2、 摩尔体积（m³/mol）：124.8

  3、 等张比容（90.2K）：301.2

  4、 表面张力（dyne/cm）：33.9

  5、 极化率（10 ^-24cm ³）：12.48

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.9

  2.氢键供体数量:0

  3.氢键受体数量:3

  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50.1

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:144

  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：未确定。

  2. 密度（g/mL,25/4℃）： 1.01

  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）：193

  6. 沸点（ºC,5.2kPa）： 未确定

  7. 折射率： 1.418

  8. 闪点（ºC）： 96

  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

Ethyl 2-Cyanopropionate Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:Ethyl 2-Cyanopropionate Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified HEALTH HAZARDS Acute toxicity (Oral)Category 3 Category 2 Skin corrosion/irritation Serious eye damage/eye irritationCategory 2A Not classified ENVIRONMENTAL HAZARDS GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordDanger Hazard statementsToxic if swallowed Causes skin irritation Causes serious eye irritation Precautionary statements: Do not eat, drink or smoke when using this product. [Prevention] Wash hands thoroughly after handling. Wear protective gloves/eye protection/face protection. [Response]IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Rinse mouth. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. IF ON SKIN: Gently wash with plenty of soap and water. If skin irritation occurs: Get medical advice/attention. Take off contaminated clothing and wash before reuse. [Storage]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 Ethyl 2-Cyanopropionate Components: Ethyl 2-Cyanopropionate Section3. COMPOSITION/INFORMATION ON INGREDIENTS Percent:>95.0%(GC) CAS Number:1572-99-2 Synonyms:2-Cyanopropionic Acid Ethyl Ester Chemical Formula:C6H9NO2 Section4. FIRST AID MEASURES Remove victim to fresh air and keep at rest in a position comfortable for breathing. Inhalation: Get medical advice/attention if you feel unwell. Remove/Take off immediately all contaminated clothing. Gently wash with plenty of Skin contact: soap and water. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Immediately call a POISON CENTER or doctor/physician. Rinse mouth. 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, foam, water spray, carbon dioxide. media: Unsuitable extinguishing Solid streams of 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. 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. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store under inert gas. Store locked up. Store away from incompatible materials such as oxidizing agents. Air-sensitive Ethyl 2-Cyanopropionate Section7. HANDLING AND STORAGE Packaging material:Comply with laws. 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. 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 Physical state (20°C):Liquid Form:Clear Colour:Colorless - Slightly pale yellow Odour:No data available pH: No data available Melting point/freezing point:No data available Boiling point/range:193°C Flash point:96°C Flammability or explosive limits: No data available Lower: Upper:No data available 1.01 Relative density: Solubility(ies): [Water]No data available [Other solvents]No data available Section10. STABILITY AND REACTIVITY Stable under proper conditions. Chemical stability: Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents, Acids, Bases Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Cyanide 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 Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available No data available Crustacea: Algae:No data available Persistence / degradability: No data available Ethyl 2-Cyanopropionate Section12. ECOLOGICAL INFORMATION BioaccumulativeNo data available potential(BCF): Mobility in soil No data available Log Pow: Soil adsorption (Koc):No data available No data available Henry's Law 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 6.1: Toxic substance. Hazards Class: UN-No:3276 Nitriles, liquid, toxc, n.o.s. Proper shipping name: 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): Xi
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): 23-36/37/39
• 危险品运输编码: UN 3276
• 包装等级: Ⅲ
• 海关编码: 2926909090

合成路线

上下游产品

上游产品  10
84-65-1 105-56-6 110-89-4 50-00-0
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下游产品  9
30378-23-5 609-08-5 10569-72-9 1572-98-1
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海关

海关编码	2926909090
中文概述	2926909090 其他腈基化合物. 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
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%