2-Butenenitrile 2-丁烯腈

CAS 4786-20-3 MFCD00001935

化学结构图

4786-20-3
SMILES: C/C=C/C#N

化学属性

Mol. FormulaCH3CH=CHCN
Mol. Weight67
Refractive index1.4190 to 1.4210
Boiling Point123°C(lit.)
Density0.824 g/mL at 25 °C(lit.)
Flash Point16°C(lit.)
Solubility溶于乙醚、丙酮。

别名和识别编码

Chemical Name2-Butenenitrile
Synonym 反-丁烯腈,丙烯基氰 crotonicnitrile 顺 巴豆腈,顺式和反式混合物 2-BUTENENITRILE Crotonique nitrile Propenyl cyanide Crotonitrile 2-Butenenitrile 2-丁烯腈 巴豆腈 CROTONITRILE 1-Cyanopropene 2-丁烯腈,顺式和反式混合物 Crotononitrile,c&t; crotoniquenitrile Crotonic nitrile 丙烯基氰 Crotonnitrile 顺,反-丁烯腈 丙烯基氰,巴豆腈 Croton acid nitrile,c&t; 1-Cyano-1-propylene beta-Methylacrylonitrile 1-Propenyl cyanide
CAS Number4786-20-3
PubChem Substance ID637921
EC Number225-335-1
Beilstein Registry Number2(4)1507
MDL NumberMFCD00001935
Chemical Name Translation2-丁烯腈
Reaxys-RN13333492
Wiswesser Line NotationNC1U2
InChIKeyNKKMVIVFRUYPLQ-NSCUHMNNSA-N
LabNetwork Molecule IDLN01745739
InChIInChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2+
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分类

  • Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks
  • {SNA} Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Beilstein:2(4)1507

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes F,Xn
RTECSGQ6322000
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P332+P313
  • P301+P312+P330
  • P337+P313
  • P302+P352+P332+P313+P362+P364
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P303+P361+P353
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P403+P235
  • P305+P351+P338+P337+P313
  • P241+P242+P243
  • P233 Keep container tightly closed. ?保持容器密闭。
Signal word Danger
Packing GroupII
Hazard Class3
Storage condition Flammables area
UN Number 1993
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R11 Highly flammable 非常易燃
Warnings 危化品目录(2015)
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 60 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   COREAF Comptes R

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 396 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 37(4),10,1972

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 230 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences.
   (Paris, France)  V.1-261, 1835-1965.  For publisher information, see CRASEV.
    Volume(issue)/page/year: 153,895,1911

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 272 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 37(4),10,1972

TYPE OF TEST            : LD50 - Lethal dos

Restrict 危险品

其他信息

  • TCI Shanghai:巴豆腈(顺反异构体混合物) Crotononitrile (cis- and trans- mixture),>;98.0%(GC)(4786-20-3)
  • 可燃性危险特性:遇明火、高热可燃; 遇酸分解有毒气体; 受热产生有毒氮氧化物烟雾
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类、食品添加剂分开存放
  • MSDS 信息:2-丁烯腈(4786-20-3).msds
  • 毒性分级:高毒
  • Sigma Aldrich:4786-20-3(sigmaaldrich)
  • Acros Organics:巴豆腈 Crotononitrile (pract), 98%(4786-20-3)
  • 灭火剂:水、泡沫、砂土
  • 2-丁烯腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0422 巴豆腈(顺反异构体混和物) Crotononitrile (cis- and trans- mixture) 500ML 1170元 2014/06/02 C0422 巴豆腈(顺反异构体混和物) Crotononitrile (cis- and trans- mixture) 25ML 163元 2010/06/21 405785000 2-丁烯腈 Crotononitrile (pract) 98% 500 ML 1358元
  • 外观性质:无色至淡黄色液体。
  • 下游产品:4-羟基-2,5-二甲基-3(2H)呋喃酮
  • MOL 文件:4786-20-3.mol
  • 图谱信息:2-丁烯腈(4786-20-3)红外图谱(IR2) 2-丁烯腈(4786-20-3)核磁图( 1 HNMR) 2-丁烯腈(4786-20-3)红外图谱(IR1) 2-丁烯腈(4786-20-3)核磁图( 13 CNMR) 2-丁烯腈(4786-20-3)质谱(MS)
  • 急性毒性:口服- 大鼠 LD50: 501 毫克/ 公斤; 口服- 小鼠 LD50: 396 毫克/ 公斤
  • 类别:有毒物品

系列性分类


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