1,4-Dicyano-2-butene 1,4-二氰基-2-丁烯

CAS 1119-85-3 MFCD00001964

化学结构图

1119-85-3
SMILES: N#CCC=CCC#N

化学属性

Mol. FormulaC6H6N2
Mol. Weight106.13
Melting Point74-79 °C
TSCAYes
Boiling Point120 °C at 0.7 mmHg

别名和识别编码

Chemical Name1,4-Dicyano-2-butene
Synonym Hex-3-enedinitrile {LY} Hex-3-enedinitrile {} {LY} Hex-3-enedinitrile {} {} {LY} Hex-3-enedinitrile {} {} {} {LY} Hex-3-enedinitrile {} {} {} {} {LY} Hex-3-enedinitrile {} {} {} {} {} {LY} Hex-3-enedinitrile {} {} {} {} {} {} {LY} Hex-3-enedinitrile {} {} {} {} {} {} {} {LY} Hex-3-enedinitrile {} {} {} {} {} {} {} {} {LY} Hex-3-enedinitrile {} {} {} {} {} {} {} {} {} {LY} Hex-3-enedinitrile {} {} {} {} {} {} {} {} {} {} {LY} Hex-3-enedinitrile {} {} {} {} {} {} {} {} {} {} {} {LY} Hex-3-enedinitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hex-3-enedinitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hex-3-enedinitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hex-3-enedinitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hex-3-enedinitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00001964
CAS Number1119-85-3
PubChem Substance ID87570772
Beilstein Registry Number1720228
EC Number214-287-7
Reaxys-RN1740276
Chemical Name Translation1,4-二氰基-2-丁烯
Wiswesser Line NotationNC2U2CN
InChIInChI=1S/C6H6N2/c7-5-3-1-2-4-6-8/h1-2H,3-4H2/b2-1+
Canonical SMILESC(=C\CC#N)/CC#N
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分类

  • {uni_hamburg} no charge; 1fragment
  • {SNA} Building Blocks, C6 to C7, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
  • Short: IV/20C Title: Vapor Pressure and Antoine Coefficients for Nitrogen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20C Year: 2001 Keyword: organic compounds; vapor pressure ISBN: 3-540-41060-0 ISBN: 978-3-540-41060-7 Internet Resource: DOI:10.1007/b88812 RefComment: VII, 197 pages

安全信息

Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • 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）；
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Packing GroupIII
UN Number 3439 UN3439
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
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R25 Toxic if swallowed 吞咽有毒
  • R20/21 Harmful by inhalation and in contact with skin 吸入及与皮肤接触有害
WGK Germany3
GHS Symbol
Precautionary statements
  • 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。
  • 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。
  • 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+P330
  • P302+P350
  • P302+P352+P312+P361+P364
  • P304+P340+P311
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P332+P313
  • P337+P313
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301+H311+H331
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSMP6750000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
Hazard Codes Xn
Hazard Class6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#05212

Storage condition

其他信息

  • TCI Shanghai:3-己烯二氰 3-Hexenedinitrile,>;98.0%(GC)(1119-85-3)
  • 图谱信息:1,4-二氰基-2-丁烯(1119-85-3)红外图谱(IR2) 1,4-二氰基-2-丁烯(1119-85-3)质谱(MS) 1,4-二氰基-2-丁烯(1119-85-3)核磁图( 13 CNMR) 1,4-二氰基-2-丁烯(1119-85-3)核磁图( 1 HNMR) 1,4-二氰基-2-丁烯(1119-85-3)红外图谱(IR1)
  • Sigma Aldrich:1119-85-3(sigmaaldrich)
  • 1,4-二氰基-2-丁烯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0357 3-己烯二氰 3-Hexenedinitrile 5G 502元 2014/06/02 H0357 3-己烯二氰 3-Hexenedinitrile 25G 1510元
  • Acros Organics:1,4-二氰基-2-丁烯 1,4-Dicyano-2-butene, 97%(1119-85-3)
  • MOL 文件:1119-85-3.mol
  • Alfa Aesar:1,4-Dicyano-2-butene, 97%(1119-85-3)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  6. C6 to C7 - Cyanides/Nitriles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  6. C6 to C7 - Cyanides/Nitriles

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