2-Methylglutaronitrile 甲基戊二腈

CAS 4553-62-2 MFCD00001875

化学结构图

4553-62-2
SMILES: CC(C#N)CCC#N

化学属性

Mol. FormulaC6H8N2
Mol. Weight108.14
Refractive index1.4320 to 1.4350
Boiling Point269-271 °C at 760 mmHg
Density0.95 g/mL at 25 °C(lit.)
Melting Point-45 °C
Flash Point115°C(lit.)

别名和识别编码

Chemical Name2-Methylglutaronitrile
MDL NumberMFCD00001875
CAS Number4553-62-2
PubChem Substance ID20686
EC Number224-923-5
Beilstein Registry Number2,656
Synonym 2-Methylpentanedinitrile {LY} 2-Methylpentanedinitrile {} {LY} 2-Methylpentanedinitrile {} {} {LY} 2-Methylpentanedinitrile {} {} {} {LY} 2-Methylpentanedinitrile {} {} {} {} {LY} 2-Methylpentanedinitrile {} {} {} {} {} {LY} 2-Methylpentanedinitrile {} {} {} {} {} {} {LY} 2-Methylpentanedinitrile {} {} {} {} {} {} {} {LY} 2-Methylpentanedinitrile {} {} {} {} {} {} {} {} {LY} 2-Methylpentanedinitrile {} {} {} {} {} {} {} {} {} {LY} 2-Methylpentanedinitrile {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylpentanedinitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylpentanedinitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylpentanedinitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylpentanedinitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylpentanedinitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylpentanedinitrile {} {} {} {} {} {} {}
Chemical Name Translation甲基戊二腈
Reaxys-RN1741955
Wiswesser Line NotationNCYU1&2CN
LabNetwork Molecule IDLN00222957
InChIInChI=1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3
Canonical SMILESN#CC(C)CCC#N
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分类

  • {SNA} Building Blocks, C6 to C7, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

安全信息

GHS Symbol
WGK Germany3
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
  • H301+H311
  • H330 Fatal if inhaled 吸入致命
  • H302+H312+H332
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSYV8140000
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
  • 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。
  • 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
  • P302+P352+P312+P362+P364
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P305+P351+P338+P337+P313
Signal word Danger Warning
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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);
Hazard Codes T Xn
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
  • 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
UN Number 3276
Packing GroupIII
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#02814

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz.  (Darmstadt, Fed.
   Rep. Ger.)  V.1-25, 1951-75.  Volume(issue)/page/year: 19,225,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 34 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz.  (Darmstadt, Fed.
   Rep. Ger.)  V.1-25, 1951-75.  Volume(issue)/page/year: 19,225,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
   Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
   ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz.  (Darmstadt, Fed.
   Rep. Ger.)  V.1-25, 1951-75.  Volume(issue)/page/year: 19,225,1969

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 mg/plate
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   11(Suppl 12),1,1988

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

  • Sigma Aldrich:4553-62-2(sigmaaldrich)
  • MOL 文件:4553-62-2.mol
  • 图谱信息:甲基戊二腈(4553-62-2)核磁图( 1 HNMR) 甲基戊二腈(4553-62-2)质谱(MS) 甲基戊二腈(4553-62-2)红外图谱(IR1)
  • 甲基戊二腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0331 2-甲基戊二腈 2-Methylglutaronitrile 500G 876元 2014/06/02 M0331 2-甲基戊二腈 2-Methylglutaronitrile 25G 303元 2014/06/02 M0331 2-甲基戊二腈 2-Methylglutaronitrile 10G 120元
  • TCI Shanghai:2-甲基戊二腈 2-Methylglutaronitrile,>;98.0%(GC)(4553-62-2)

系列性分类


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