Isobutyl Cyanide 异戊腈

CAS 625-28-5 MFCD00001944

化学结构图

625-28-5
SMILES: CC(C)CC#N

化学属性

Mol. FormulaC5H9N
Mol. Weight83
Refractive index1.3920 to 1.3940
Boiling Point130°C
Density0.795 g/mL at 25 °C(lit.)
Flash Point28°C(lit.)
Solubility微溶于水,易溶于丙酮,可混溶于乙醇、乙醚。

别名和识别编码

Chemical NameIsobutyl Cyanide
CAS Number625-28-5
PubChem Substance ID12244
EC Number210-884-1
MDL NumberMFCD00001944
Reaxys-RN1734239
Synonym 1-Cyano-2-methylpropane 2-Methylbutane secondary mononitrile 2-methylbutanesecondarymononitrile 3-Methylbutanenitrile 3-Methylbuttersäurenitril 3-Methylbutyronitrile 3-methyl-butanenitril 3-methyl-butyronitril 3-methyl-butyronitrile 3-methylbutanenitrile 3-甲基丁腈 Butanenitrile, 3-methyl- Butanenitrile,3-methyl- Butyronitrile, 2-methyl- Butyronitrile, 3-methyl- ISOAMYL NITRILE ISOBUTYL CYANIDE ISOVALERONITRILE ISOVALERONITRILE 98+% Isoamylnitrile Isobutyl cyanide Isobutyl cyanide; Isovaleronitrile Isobutylcyanid Isopenmnenitrile Isopentane nitrile Isovaleriansäurenitril Isovaleroni
Chemical Name Translation异戊腈
Wiswesser Line NotationNC1Y1&1
Beilstein Registry Number1734239
LabNetwork Molecule IDLN00197978
InChIInChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3
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分类

  • Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; 1fragment
  • {SA} Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Beil. 2 ,315
  • FT-IR 2 (1), 1423:B / FT-NMR 1 (1), 1352:C / RegBook 1 (1), 987:G / Sax 6 , 1674 / Structure Index 1 , 154:C:2 / Vapor Phase 3 , 797:B
  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardco

安全信息

GHS Symbol
WGK Germany3
Hazard Codes Xn
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H301 Toxic if swallowed 吞食有毒
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSNY1750000
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施,防止静电放电。
  • 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+P312+P361+P364
  • P303+P361+P353
  • P304+P340
  • P304+P340+P311
  • 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)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+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
  • P370+P378
  • P403+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
UN Number 1992 UN 1992 3/PG 3
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
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
  • R22 Harmful if swallowed 吞咽有害
  • R10 Flammable 易燃
Packing GroupIII
Hazard Class3/6.1
Warnings 危化品目录(2015)
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 43400 ug/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Lungs, Thorax, or Respiration - respiratory stimulation
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: 5,161,1899

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 7,690,1955

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 3800 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Cardiac - other changes
   Lungs, Thorax, or Respiration - respiratory depression
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: 5,161,1899

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 233 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other tha

Restrict 危险品

其他信息

  • 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
  • MSDS 信息:异戊腈(625-28-5).msds
  • 毒性分级:高毒
  • 类别:有毒物品
  • Sigma Aldrich:625-28-5(sigmaaldrich)
  • 异戊腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0292 异戊腈 Isovaleronitrile 500ML 7990元 2014/06/02 I0292 异戊腈 Isovaleronitrile 25ML 1020元
  • 图谱信息:异戊腈(625-28-5)质谱(MS) 异戊腈(625-28-5)Raman光谱 异戊腈(625-28-5)核磁图( 13 CNMR) 异戊腈(625-28-5)红外图谱(IR1)
  • 可燃性危险特性:明火可燃; 高热放出有毒氮氧化物和氰化物气体
  • 外观性质:无色液体。
  • 灭火剂:泡沫、雾状水、干粉、砂土;禁用酸碱灭火剂
  • 下游产品:2-(4-羟基苯基)-3-甲基丁酸
  • 急性毒性:参考值 吸入- 小鼠 LC50: 377 毫克/ 立方米/ 4小时
  • TCI Shanghai:异戊腈 Isovaleronitrile,>;98.0%(GC)(625-28-5)
  • MOL 文件:625-28-5.mol

系列性分类


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