Glutaronitrile 戊二腈

CAS 544-13-8 MFCD00001970

化学结构图

544-13-8
SMILES: N#CCCCC#N

化学属性

Mol. FormulaC5H6N2
Mol. Weight94
Refractive index1.4340 to 1.4370
Density0.995
Flash Point112°(234°F)
TSCAYes
Boiling Point285-287
Melting Point-29
Solubility可溶

别名和识别编码

Chemical NameGlutaronitrile
MDL NumberMFCD00001970
CAS Number544-13-8
Reaxys-RN1738385
Merck Number4474
Beilstein Registry Number2,635
PubChem Substance ID10994
Synonym Pyrotartaric acid nitrile Pentanedinitrile Glutaric dinitrile Pentanedinitrlie 1,3-二氰基丙烷 1,3-Dicyanopropane; Pentanedinitrile 1,3-PROPANEDICARBONITRILE TRIMETHYLENE CYANIDE Glutaronitrile TRIMETHYLENE DICYANIDE 1,3-Dicyanopopane. 1,3-TRIMETHYLENEDINITRILE PENTANEDINITRILE Glutaronitrile,99% glutaricaciddinitrile GLUTARONITRILE Trimethylenedicyamide 1,3-二氰丙烷 戊二腈 pyrotartaricacidnitrile 1,3-Dicyanopropane Glutaric acid dinitrile Glutaronitrle Glutarodinitrile 1,3-DICYANOPROPANE 戊二腈,1,3-二氰基丙烷
EC Number208-861-6
Chemical Name Translation戊二腈
Wiswesser Line NotationNC3CN
LabNetwork Molecule IDLN01742404
InChIInChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2
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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
  • {SA} Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Can be used for the conversion, by exchange, of carboxylic acids to nitriles, by heating in the presence of phosphoric acid. The equilibrium is displaced by cyclization to glutarimide: J. Org. Chem., 36, 3050 (1971).

安全信息

RTECSYI3500000
UN Number 2810 3276 UN 2810 6.1/PG 3 UN3276
Signal word Danger
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
  • P301+P310+P330
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • 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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H312 Harmful in contact with skin 皮肤接触有害
  • H312+H332
  • H332 Harmful if inhaled 吸入有害
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
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 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
Storage condition Hygroscopic
GHS Symbol
WGK Germany3
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 6.1 Xn
Packing GroupIII
Hazard Class6.1
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 18 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 3,77,1897

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Bird - pigeon
DOSE/DURATION           : 1200 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - nausea or vomiting
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 3,77,1897

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 3,77,1897

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - nausea or vomiting
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume

其他信息

  • 外观性质:无色或浅黄色液体。
  • 可燃性危险特性:明火可燃; 燃烧释放有毒氮氧化物烟雾
  • Sigma Aldrich:544-13-8(sigmaaldrich)
  • 用途一:用于有机合成。
  • 灭火剂:干粉、泡沫、二氧化碳、砂土。
  • Acros Organics:戊二腈 Glutaronitrile, 99%(544-13-8)
  • F:3-10
  • Alfa Aesar:戊二腈,99% Glutaronitrile, 99%(544-13-8)
  • 戊二腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 K4973001 戊二腈purum>98% 25ml 430元 2011/04/16 G0072 戊二腈 Glutaronitrile 25G 721元 2011/04/16 G0072 戊二腈 Glutaronitrile 250G 3660元
  • 毒性分级:高毒
  • 方法一:由二溴丙烷与氰化钠反应而得。将氰化钠溶于水,加入二溴丙烷的乙醇,冷却,滤去沉淀。将母液用乙酸乙酯提出取,用水洗涤提取液。经碳酸钾干燥后回收乙酸乙酯,剩余物进行减压蒸馏,收集144-147℃(1.73kPa)馏分即为成品,收率约80%。
  • 上游原料:1,2-二溴丙烷
  • 图谱信息:戊二腈(544-13-8)Raman光谱 戊二腈(544-13-8)核磁图( 13 CNMR) 戊二腈(544-13-8)质谱(MS) 戊二腈(544-13-8)核磁图( 1 HNMR) 戊二腈(544-13-8)红外图谱(IR1)
  • TCI Shanghai:戊二腈 Glutaronitrile,>;96.0%(GC)(544-13-8)
  • 敏感性:Hygroscopic
  • 下游产品:戊二酸 --> 1,5-二氨基戊烷 --> 戊二酸二乙酯
  • 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
  • 急性毒性:口服-小鼠 LD50: 266 毫克/公斤
  • MSDS 信息:戊二腈(544-13-8).msds
  • MOL 文件:544-13-8.mol
  • 类别:有毒物品

系列性分类


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