Diethylaminoacetonitrile 二乙基氨基乙腈

CAS 3010-02-4 MFCD00001891

化学结构图

3010-02-4
SMILES: CCN(CC)CC#N

化学属性

Mol. FormulaC6H12N2
Mol. Weight112.17
Refractive index1.4230 to 1.4270
Density0.866 g/mL at 25 °C(lit.)
Boiling Point170°C
Vapor Pressure760 mmHg ( 170 °C)
Flash Point53°C(lit.)
TSCAYes
Appearance N,N-二乙基氰乙酰胺(3010-02-4)沸点为170℃,70℃(3.2kPa),相对密度0.866(20/4℃),折光率1.4260。闪点53℃。溶于水和乙醇。

别名和识别编码

Chemical NameDiethylaminoacetonitrile
Synonym 2-(Diethylamino)acetonitrile {LY} 2-(Diethylamino)acetonitrile {} {LY} 2-(Diethylamino)acetonitrile {} {} {LY} 2-(Diethylamino)acetonitrile {} {} {} {LY} 2-(Diethylamino)acetonitrile {} {} {} {} {} {} {} {} {LY} 2-(Diethylamino)acetonitrile {} {} {} {} {} {LY} 2-(Diethylamino)acetonitrile {} {} {} {} {} {} {LY} 2-(Diethylamino)acetonitrile {} {} {} {} {} {} {} {LY} 2-(Diethylamino)acetonitrile {} {} {} {} {} {} {} {} {LY} 2-(Diethylamino)acetonitrile {} {} {} {} {} {} {} {} {} {LY} 2-(Diethylamino)acetonitrile {} {} {} {} {} {} {} {} {} {} {LY} 2-(Diethylamino)acetonitrile {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Diethylamino)acetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Diethylamino)acetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Diethylamino)acetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Diethylamino)acetonitrile
MDL NumberMFCD00001891
CAS Number3010-02-4
EC Number221-130-6
Beilstein Registry Number4(3)1136
Reaxys-RN969468
PubChem Substance ID44983
Chemical Name Translation二乙基氨基乙腈
Wiswesser Line NotationNC1N2&2
LabNetwork Molecule IDLN01741476
InChIInChI=1S/C6H12N2/c1-3-8(4-2)6-5-7/h3-4,6H2,1-2H3
Canonical SMILESCCN(CC)CC#N
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分类

  • {uni_hamburg} no charge; 1fragment

相关文献及参考

  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • 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
  • Developed by Stork as a formyl anion equivalent by metallation with LDA and mono- or di-alkylation with alkyl halides, epoxides or Michael acceptors. The monoalkylated products can be hydrolyzed to aldehydes and the dialkylated to ketones: Tetrahedron Lett., 5175 (1978):
  • For a review of the use of ɑ-dialkylaminonitriles as acyl anion equivalents, see: Tetrahedron, 39, 3207 (1983). See also Dimethyl­aminoacetonitrile, B25085.

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H331 Toxic if inhaled 吸入中毒
  • H318 Causes serious eye damage 严重伤害眼睛
  • H301 Toxic if swallowed 吞食有毒
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H311 Toxic in contact with skin 皮肤接触中毒
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSAL8575000
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P332+P313
  • P337+P313
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P303+P361+P353
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • 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。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P403+P235
  • P301+P310
  • P305+
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
Signal word Danger
Packing GroupIII
UN Number UN 3275 6.1/PG 2 1992 UN3275
Risk Statements
  • R10 Flammable 易燃
  • R36 Irritating to eyes 刺激眼睛
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
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;
  • 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);
  • 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;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S38 In case of insufficient ventilation wear suitable respiratory equipment 通风不良时,佩带适当的呼吸器;
Hazard Codes T
Hazard Class3/6.1
Storage condition Flammables area
TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 125 ppm/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 360 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 160 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

其他信息

  • 上游原料:氰化钠 --> 亚硫酸氢钠 --> 二乙胺
  • 蒸气压:760 mm Hg ( 170 °C)
  • MOL 文件:3010-02-4.mol
  • 方法一:以甲醛为原料,先与亚硫酸氢钠加成,再与二乙胺缩合、氰化钠氰化而得。
  • N,N-二乙基氰乙酰胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D1104 二乙氨基乙腈 Diethylaminoacetonitrile 25ML 623元 2010/06/21 113990250 N,N-二乙基氰乙酰胺 Diethylaminoacetonitrile 95% 25 ML 530元 2010/06/21 113991000 N,N-二乙基氰乙酰胺 Diethylaminoacetonitrile 95% 100 ML 730元
  • Alfa Aesar:Diethylaminoacetonitrile, 97%(3010-02-4)
  • Sigma Aldrich:3010-02-4(sigmaaldrich)
  • TCI Shanghai:二乙氨基乙腈 Diethylaminoacetonitrile,>;98.0%(GC)(T)(3010-02-4)
  • 用途一:有机合成中间体。
  • Acros Organics:二乙氨基乙睛 Diethylaminoacetonitrile, 95%(3010-02-4)

系列性分类


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