4403-61-6

• 常用中文名：2-甲基-2-丁烯腈
• 常用英文名：2-METHYL-2-BUTENENITRILE
• CAS号：4403-61-6
• 分子式：C₅H₇N
• 分子量：81.11580
• 发布时间：2018-06-10 23:08:09
• 更新时间：2024-01-06 22:18:25

名称

• 中文名: 2-甲基-2-丁烯腈
• 英文名: 2-Methyl-2-butenenitrile
• 中文别名: 2,3-二甲基丙烯腈
• 英文别名: 2-METHYL-2-BUTENENITRILE; 1-Methyl-1-propenyl Cyanide; 2-Cyano-2-butene; MFCD00037169; EINECS 224-544-5

物化性质

• 密度: 0.810 g/mL at 20ºC(lit.)
• 沸点: 122ºC
• 熔点: -12ºC
• 分子式: C₅H₇N
• 分子量: 81.11580
• 闪点: -17ºC
• 精确质量: 81.05780
• PSA: 23.79000
• LogP: 1.47618
• 外观性状: 透明液体
• 折射率: n20/D 1.417
• 储存条件:

  避光，通风干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 分子结构:

  1、 摩尔折射率：25.02

  2、 摩尔体积（m³/mol）：97.8

  3、 等张比容（90.2K）：222.7

  4、 表面张力（dyne/cm）：26.8

  5、 极化率（10 ^-24cm ³）：9.92

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：1

  2、 氢键供体数量：0

  3、 氢键受体数量：1

  4、 可旋转化学键数量：0

  5、 拓扑分子极性表面积（TPSA）：23.8

  6、 重原子数量：6

  7、 表面电荷：0

  8、 复杂度：102

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：0

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：0

  13、 不确定化学键立构中心数量：1

  14、 共价键单元数量：1

• 更多:

  1. 性状：不确定

  2. 密度（g/mL ,20℃）：0.810

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：不确定

  5. 沸点（ºC）：115-120

  6. 沸点（ºC,7mmHg）：50

  7. 折射率：1.417

  8. 闪点（ºC）：-17

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸汽压（20ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

MSDS

2-Methyl-2-butenenitrile Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:2-Methyl-2-butenenitrile Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDS Category 2 Flammable liquids HEALTH HAZARDS Category 3 Acute toxicity (Oral) Acute toxicity (Dermal)Category 3 Category 3 Acute toxicity (Inhalation) Skin corrosion/irritationCategory 2 Category 2A Serious eye damage/eye irritation ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbols Danger Signal word Hazard statementsHighly flammable liquid and vapour Toxic if swallowed, in contact with skin or if inhaled Causes skin irritation Causes serious eye irritation 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. Avoid breathing dust/fume/gas/mist/vapours/spray. Use only outdoors or in a well-ventilated area. Do not eat, drink or smoke when using this product. Wash hands thoroughly after handling. Wear protective gloves and eye/face protection. 2-Methyl-2-butenenitrile Section2. HAZARDS IDENTIFICATION [Response]IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing. Call a POISON CENTER or doctor/physician. 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 (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation occurs: Get medical advice/attention. Remove/Take off immediately all contaminated clothing. Wash contaminated clothing before reuse. Call a POISON CENTER or doctor/physician if you feel unwell. [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 Components:2-Methyl-2-butenenitrile Percent:>70.0%(GC) CAS Number:4403-61-6 Synonyms:2-Cyano-2-butene , 1-Methyl-1-propenyl Cyanide Chemical Formula:C5H7N Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Call a POISON CENTER or doctor/physician. Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of soap and water. 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. 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, carbon dioxide. media: Unsuitable extinguishing Water (It may scatter and spread fire.) 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: Keep containers cool by spraying with water. Eliminate all ignition sources if safe to do so. When extinguishing fire, be sure to wear personal protective equipment. Special protective 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. 2-Methyl-2-butenenitrile Section6. ACCIDENTAL RELEASE MEASURES 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 Remove all sources of ignition. Fire-extinguishing devices should be prepared in hazards: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. 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 vapour or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Keep container tightly closed. Store in a cool, dark and well-ventilated place. Storage conditions: Store under inert gas. Store locked up. Store away from incompatible materials such as oxidizing agents. Air-sensitive 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:50°C/0.9kPa Flash point:-17°C Flammability or explosive limits: Lower:No data available Upper:No data available 0.82 Relative density: Solubility(ies): [Water]Slightly soluble [Other solvents]No data available 2-Methyl-2-butenenitrile Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Conditions to avoid:Spark, Open flame, Static discharge Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx) products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:skn-rbt LDLo:200 mg/kg Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available No data available NTP = Reproductive toxicity:No data available EM8312500 RTECS Number: 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): 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 but exert extra care in igniting as this material is highly flammable. Observe all federal, state and local regulations when disposing of the substance Section14. TRANSPORT INFORMATION Hazards Class:3: Flammable liquid. Subsidiary risk:6.1: Toxic substance. UN-No:3273 Proper shipping name:Nitriles, flammable, toxic, n.o.s. Packing group:II 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. 2-Methyl-2-butenenitrile SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境

安全

• 危害码 (欧洲): F,Xn
• 风险声明 (欧洲): 11-20/22
• 安全声明 (欧洲): 16-23-36/37
• 危险品运输编码: UN 3273 3/PG 2
• 危险类别: 3.1
• 海关编码: 2926909090

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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%