2-甲基-2-丁烯腈

2-甲基-2-丁烯腈 基本信息
CAS号 4403-61-6 分子式 C5H7N
分子量 81.11580 精确质量  81.05780
PSA  23.79000 LogP  1.47618

基本信息 展开↓

CAS号:
4403-61-6
3D弹球模型:
立即前往扯扯看
分子式:
C5H7N
分子量:
81.11580
中文名称:
2-甲基-2-丁烯腈
英文名称:
2-Methyl-2-butenenitrile
中文别名:
2-甲基-2-丁烯腈;
2,3-二甲基丙烯腈
英文别名:
2-Methyl-2-butenenitrile;
2-METHYL-2-BUTENENITRILE;
1-Methyl-1-propenyl Cyanide;
2-Cyano-2-butene
精确分子量/精确质量:
81.05780
极性分子表面积/PSA:
23.79000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00037169
EINECS:
224-544-5
PubChem:
24884491
BRN:
1719984
InChI:
The Key: IHXNSHZBFXGOJM-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
透明液体
密度:
0.810 g/mL at 20ºC(lit.)
熔点:
-12ºC
沸点:
122ºC
闪点:
-17ºC
折射率:
n20/D 1.417
存储条件/存储方法:

 避光,通风干燥处,密封保存

稳定性相关:

常温常压下稳定

其它信息:

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

安全信息展开↓

风险类别:
3.1
海关代码:
2926909090
危险类别码:
11-20/22
安全说明:
16-23-36/37
安全标志:
S16:远离火源。
S23:不要吸入蒸汽。
:
危险标志:
F,Xn

合成路线查看所有的合成路线

  • 16529-56-9

    2-甲基-3-丁烯腈

  • ~98%

  • 4403-61-6

    2-甲基-2-丁烯腈

  • 108671-31-4

    3-(ethylthio)-2-methylbutanenitrile

  • ~28%

  • 4403-61-6

    2-甲基-2-丁烯腈

  • 590-18-1

    顺-2-丁烯

  • +

  • 460-19-5

  • 1190-76-7

    (Z)-2-丁烯腈

  • +

  • 4786-20-3

    2-丁烯腈

  • +

  • 4403-61-6

    2-甲基-2-丁烯腈

  • +

  • 74-84-0

    乙烷

  • +

  • 109-75-1

    烯丙基腈

  • +

  • 126-98-7

    甲基丙烯腈

化学图谱

  1. 2-甲基-2-丁烯腈核磁图(1HNMR)

  2. 2-甲基-2-丁烯腈质谱(MS)

上一页 1/4 下一页

毒理性展开↓

生态数据:

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

MSDS 展开↓

  2-Methyl-2-butenenitrile      Revision number: 5    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        2-Methyl-2-butenenitrile    
    
  Revision number:        5    

Section 2. 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/irritation        Category 2    
    Category 2A
  Serious eye damage/eye irritation
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
    Danger
  Signal word
  Hazard statements        Highly 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

Section 2. 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.

Section 3. 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    

Section 4. 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.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry 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:

Section 6. 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

Section 6. 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.    

Section 7. 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.    

Section 8. 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.

Section 9. 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

Section 10. 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:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        skn-rbt LDLo:200 mg/kg    
  Skin corrosion/irritation: No data available
  Serious eye        No 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:

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  Henry's Law        No data available    
  constant(PaM3/mol):

Section 13. 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

Section 14. 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    

Section 15. 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

海关数据查看详细

中国海关编码:2926909090

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
摘要/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%

分子结构与计算化学数据展开↓

分子结构数据


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10-24cm3):9.92

计算化学数据


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

上下游相关产品

上游产品

更多
  • 108671-31-4

    3-(ethylthio)-2-methylbutanenitrile

  • 16529-56-9

    2-甲基-3-丁烯腈

  • 4111-08-4

    2-羟基-2-甲基丁腈

  • 590-18-1

    顺-2-丁烯

  • 460-19-5

下游产品

更多
  • 176433-43-5

    6-氯-5-甲基吡啶-3-羧醛

  • 80-59-1

    惕格酸

  • 20068-02-4

    (2Z)-2-Methyl-2-butenenitrile

  • 30574-97-1

    (E)-2-Methyl-2-butenenitrile

  • 5953-75-3

    angelic acid amide

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便