3-Butenenitrile 烯丙基腈

CAS 109-75-1 MFCD00001962

化学结构图

109-75-1
SMILES: C=CCC#N

化学属性

Mol. FormulaC4H5N
Mol. Weight67.09
Refractive index1.4030 to 1.4080
Boiling Point116-121
Density0.834
Flash Point24°C(lit.)
TSCAYes
Autoignition Point851 °F
Melting Point-87°
Solubility微溶于水,可混溶于乙醇、乙醚。
Danger-Level甲类

别名和识别编码

Chemical Name3-Butenenitrile
Synonym 1-butene-4-nitrile 1-氰基丙烯 2-Propenylcyanide 3-BUTENENITRILE 3-Butenenitrile,Vinylacetonitrile 3-Butenylnitrile 3-Cyano-1-propene 3-Cyanopropene Acetonitrile, vinyl- Allyl Cyanide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number109-75-1
PubChem Substance ID8009
EC Number203-701-1
Beilstein Registry Number605352
MDL NumberMFCD00001962
Reaxys-RN605352
Merck Number290
Chemical Name Translation烯丙基腈
Wiswesser Line NotationNC2U1
LabNetwork Molecule IDLN00116497
InChIInChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2
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分类

  • Allyl Monomers, Materials Science, Monomers, Polymer Science
  • {SA} Allyl Monomers, Materials Science, Monomers, Polymer Science
  • {uni_hamburg} no charge; 1fragment
  • {SNA} Allyl Monomers, Monomers, Polymer Science, 材料科学

相关文献及参考

  • Merck 14 ,290
  • Beil. 2 ,IV,1491
  • Aldrich MSDS 1 , 43:B / Corp MSDS 1 (1), 98:C / FT-IR 1 (1), 843:A / FT-IR 2 (1), 1430:B / FT-NMR 1 (1), 1358:C / IR-Spectra (3), 503:H / IR-Spectra (2), 447:E / NMR-Reference 2 (1), 701:D / RegBook 1 (1), 991:F / Sax 6 , 551 / Structure Index 1 , 154:B:8 / Vapor Phase 3 , 802:C
  • Short: II/19b Title: Molecular Constants: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules Author: Demaison, J.; Hüttner, W.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/19b Year: 1992 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-54578-6 ISBN: 978-3-540-54578-1 Internet Resource: DOI:10.1007/b44334 RefComment: XI, 488 pages. Abstract: Volume II/19 Molecular Constants mostly from Microwave, Molecular Beam and Sub-Doppler Laser Spectroscopy is a supplement to the earlier volumes II/4, II/6, and II/14. The slight change in the title reflects current trends in the applications of spectroscopic methods. Together, the four volumes collect all the critically evaluated data published up to 1989/90 on constants of free molecules obtained by classical and modern spectroscopy. Volume II/19 is divided into four parts to record the growing number of investigations, especially in the microwave and millimeter wave regions, where modern techniques like Fourier Transform Microwave Spectroscopy have made new objects of interest such as molecular complexes and clusters accessible to study. Subvolume II/19b contains corresponding data on diamagnetic asymmetric top molecules.
  • Short: II/19c Title: Molecular Constants: Dipole Moments, Quadrupole Coupling Constants, Hindered Rotation and Magnetic Constants of Diamagnetic Molecules Author: Demaison, J.; Hüttner, W.; Tiemann, E.; Vogt, J.; Wlodarczak, G. Editor: Hüt

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H301+H331
  • H312 Harmful in contact with skin 皮肤接触有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 3 T
RTECSEM8050000
Precautionary statements
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P301+P310
  • P302+P352+P312+P362+P364
  • P303+P361+P353
  • P305+P351+P338
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P332+P313
  • P370+P378
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • 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;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
Risk Statements
  • R10 Flammable 易燃
  • R21 Harmful in contact with skin 与皮肤接触有害
  • R23/25 Toxic by inhalation and if swallowed 吸入及吞食都有毒
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
UN Number 1992
Packing GroupIII
Hazard Class3/6.1
Storage condition +4°C 4 4℃ 储存温度2-8℃
Warnings 危化品目录(2015)
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 132 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - muscle contraction or spasticity
   Gastrointestinal - nausea or vomiting
REFERENCE :
   MELAAD Medicina del Lavoro.  Industrial Medicine.  (Via S. Barnaba, 8, 20122
   Milan, Italy) V.16-    1925-  Volume(issue)/page/year: 47,192,1956

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 2500 mg/m3/4H
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: 34(4),36,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 150 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,18,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 115 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 50 ppm/6H
SEX/DURATION            : female 6-20 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   20,365,1993

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 50 ppm/6H
SEX/DURATION            : female 6-20 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   20,365,1993

Restrict 危险品

其他信息

  • 下游产品:二烯丙基胺
  • 灭火剂:水、泡沫、砂土、二氧化碳
  • 刺激数据:皮肤- 兔子 10 毫克/ 24小时 轻度; 眼- 兔子 500 毫克/ 24小时 轻度
  • 外观性质:无色液体,有不愉快的气味。
  • Sigma Aldrich:109-75-1(sigmaaldrich)
  • 毒性分级:高毒
  • Alfa Aesar:Allyl cyanide, 90+%(109-75-1)
  • 急性毒性:口服- 大鼠 LD50: 115 毫克/ 公斤; 皮下-大鼠 LD50: 150 毫克/公斤
  • 用途一:用于有机合成。
  • 方法一:由烯丙基溴和氰化亚铜反应得到。
  • 职业标准:STEL 0.3 毫克/ 立方米
  • 图谱信息:烯丙基腈(109-75-1)核磁图( 1 HNMR) 烯丙基腈(109-75-1)核磁图( 13 CNMR) 烯丙基腈(109-75-1)质谱(MS) 烯丙基腈(109-75-1)红外图谱(IR1)
  • MSDS 信息:3-丁烯腈(109-75-1).msds
  • F:10
  • 烯丙基腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0227 烯丙基腈 Allyl Cyanide 25ML 325元 2011/04/16 A0227 烯丙基腈 Allyl Cyanide 500ML 3410元 2010/05/25 44775 Allyl cyanide, 90+% 25g 440元
  • TCI Shanghai:烯丙基腈 Allyl Cyanide,>;92.0%(GC)(109-75-1)
  • 上游原料:氰化亚铜 --> 3-溴丙烯
  • 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
  • 可燃性危险特性:遇明火、高热可燃; 受热产生有毒氮氧化物烟雾 遇酸分解有毒气体
  • MOL 文件:109-75-1.mol
  • 类别:有毒物品

系列性分类


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