4,4-Bibenzonitrile 4,4-联苯甲腈

CAS 1591-30-6 MFCD00013805

化学结构图

1591-30-6
SMILES: N#Cc1ccc(-c2ccc(C#N)cc2)cc1

化学属性

Mol. FormulaC14H8N2
Mol. Weight204.23
Melting Point236-240 °C
TSCAYes
Boiling Point332.72 °C at 760 mmHg

别名和识别编码

Chemical Name4,4-Bibenzonitrile
Synonym [1,1'-Biphenyl]-4,4'-dicarbonitrile {LY} [1,1'-Biphenyl]-4,4'-dicarbonitrile {} {LY} [1,1'-Biphenyl]-4,4'-dicarbonitrile {} {} {LY} [1,1'-Biphenyl]-4,4'-dicarbonitrile {} {} {} {LY} [1,1'-Biphenyl]-4,4'-dicarbonitrile {} {} {} {} {LY} [1,1'-Biphenyl]-4,4'-dicarbonitrile {} {} {} {} {} {LY} [1,1'-Biphenyl]-4,4'-dicarbonitrile {} {} {} {} {} {} {LY} [1,1'-Biphenyl]-4,4'-dicarbonitrile {} {} {} {} {} {} {} {LY} [1,1'-Biphenyl]-4,4'-dicarbonitrile {} {} {} {} {} {} {} {} {LY} [1,1'-Biphenyl]-4,4'-dicarbonitrile {} {} {} {} {} {} {} {} {} {LY} [1,1'-Biphenyl]-4,4'-dicarbonitrile {} {} {} {} {} {} {} {} {} {} {LY} [1,1'-Biphenyl]-4,4'-dicarbonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} [1,1'-Biphenyl]-4,4'-dicarbonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} [1,1'-Biphenyl]-4,4'-dicarbonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} [1,1'-Biphenyl]-4,4'-dicarbonitrile {} {} {} {} {} {
MDL NumberMFCD00013805
CAS Number1591-30-6
PubChem Substance ID87564118
EC Number216-468-6
Beilstein Registry Number9(2)665
Alfabeta NameBIPHENYLDICARBONITRILE 1144---,,''
Chemical Name Translation4,4-联苯甲腈
Reaxys-RN1869917
Wiswesser Line NotationNCR DR DCN
InChIKeyKAXYYLCSSXFXKR-UHFFFAOYSA-N
LabNetwork Molecule IDLN00185686
Canonical SMILESN#CC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Building Blocks, C10 to C27, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Short: IV/1a
  • Short: IV/7a
  • Short: LC
  • Short: EINECS

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • 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。
  • P304+P340+P312
  • 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。
  • P332+P313
  • P302+P352+P312+P362+P364
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P305+P351+P338+P337+P313
Signal word Warning
Hazard statements
  • H332 Harmful if inhaled 吸入有害
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H302+H312+H332
RTECSDV2625000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Packing GroupIII
UN Number 3276 UN3439
Risk Statements
  • 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
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
Warnings IRRITANT
Hazard Codes Xn
Hazard Class6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 75 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD691-490

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 图谱信息:4,4'-联苯甲腈(1591-30-6)红外图谱(IR1) 4,4'-联苯甲腈(1591-30-6)核磁图( 1 HNMR) 4,4'-联苯甲腈(1591-30-6)核磁图( 13 CNMR) 4,4'-联苯甲腈(1591-30-6)质谱(MS) 4,4'-联苯甲腈(1591-30-6)红外图谱(IR2)
  • 4,4'-联苯甲腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1181 4,4'-联苯二腈 4,4'-Biphenyldicarbonitrile 1G 999元 2011/04/16 B1181 4,4'-联苯二腈 4,4'-Biphenyldicarbonitrile 5G 3710元 2010/05/25 L03450 4,4'-联苯二腈基, 98% Biphenyl-4,4'-dicarbonitrile, 98% 5g 2520元
  • 毒性分级:高毒
  • TCI Shanghai:4,4'-联苯甲腈 4,4'-Biphenyldicarbonitrile,>;95.0%(GC)(1591-30-6)
  • Sigma Aldrich:1591-30-6(sigmaaldrich)
  • Alfa Aesar:4,4'-联苯二腈基,98% Biphenyl-4,4'-dicarbonitrile, 98%(1591-30-6)
  • 可燃性危险特性:可燃; 燃烧产生有毒氮氧化物和氰化物烟雾
  • 储运特性:库房通风低温干燥; 与食品原料分开存放
  • MOL 文件:1591-30-6.mol
  • 急性毒性:腹腔-小鼠 LD50: 75 毫克/公斤
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 类别:有毒物品

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
  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. C10 to C27 - 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. C10 to C27 - Cyanides/Nitriles

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