4-Methylbenzyl cyanide 4-甲基苄基氰

CAS 2947-61-7 MFCD00001922

化学结构图

2947-61-7
SMILES: Cc1ccc(CC#N)cc1

化学属性

Mol. FormulaC9H9N
Mol. Weight131.17
Refractive index1.5170 to 1.5220
Boiling Point242-243°C at 760 mmHg
Density0.992
Melting Point18°C
Flash Point106°C
TSCANo
pH:A

别名和识别编码

Chemical Name4-Methylbenzyl cyanide
CAS Number2947-61-7
Alfabeta NameMETHYLBENZYLCYANIDE 4-
MDL NumberMFCD00001922
Synonym p-Tolylacetonitrile {LY} p-Tolylacetonitrile {} {LY} p-Tolylacetonitrile {} {} {LY} p-Tolylacetonitrile {} {} {} {LY} p-Tolylacetonitrile {} {} {} {} {LY} p-Tolylacetonitrile {} {} {} {} {} {LY} p-Tolylacetonitrile {} {} {} {} {} {} {LY} p-Tolylacetonitrile {} {} {} {} {} {} {} {LY} p-Tolylacetonitrile {} {} {} {} {} {} {} {} {LY} p-Tolylacetonitrile {} {} {} {} {} {} {} {} {} {LY} p-Tolylacetonitrile {} {} {} {} {} {} {} {} {} {} {LY} p-Tolylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} p-Tolylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Tolylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Tolylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Tolylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Tolylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID76280
EC Number220-963-2
Beilstein Registry Number9,530
Chemical Name Translation4-甲基苄基氰
Reaxys-RN1099645
InChIKeyRNHKXHKUKJXLAU-UHFFFAOYSA-N
LabNetwork Molecule IDLN00174756
InChIInChI=1S/C9H9N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6H2,1H3
Canonical SMILESN#CCC1=CC=C(C)C=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • 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
  • 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.

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard statements
  • H301+H311+H331
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Gloves Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
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。
  • P264+P265
  • 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+P330
  • P301+P312
  • P301+P317
  • P302+P352
  • P302+P352+P312+P361+P364
  • P304+P312
  • P304+P340
  • P305+
  • P305+P351+P338
  • 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。
  • P317
  • P319
  • 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
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
Packing GroupIII
UN Number UN 3276 6.1/PG 3 UN3276 3276
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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Safety Statements
Hazard Codes Xn
Hazard Class6.1
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

  • MSDS 信息:4-Methylacetonitrile(2947-61-7).msds
  • 对甲基苯乙腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 X0047 对甲苯乙腈 p-Xylyl Cyanide 25ML 582元 2014/06/02 X0047 对甲苯乙腈 p-Xylyl Cyanide 500ML 4490元 2010/06/21 126440050 对甲基苯乙腈 4-Methylbenzyl cyanide 98% 5 GR 203元
  • 用途一:用作医药中间体
  • Sigma Aldrich:2947-61-7(sigmaaldrich)
  • 图谱信息:对甲基苯乙腈(2947-61-7)核磁图( 1 HNMR) 对甲基苯乙腈(2947-61-7)Raman光谱 对甲基苯乙腈(2947-61-7)质谱(MS) 对甲基苯乙腈(2947-61-7)红外图谱(IR1) 对甲基苯乙腈(2947-61-7)核磁图( 13 CNMR)
  • 用途二:用作香料、染料及药品中间体
  • 海关编码:29269095
  • Alfa Aesar:对甲苯基乙腈,98+% p-Tolylacetonitrile, 98+%(2947-61-7)
  • Acros Organics:4-甲基苄基氰 4-Methylbenzyl cyanide, 98%(2947-61-7)
  • TCI Shanghai:对甲苯乙腈 p-Xylyl Cyanide,>;98.0%(GC)(2947-61-7)
  • MOL 文件:2947-61-7.mol

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. C8 to C9 - 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. C8 to C9 - 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
  6. C6 to C7

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