Alpha-Methylphenylacetonitrile 2-苯丙腈

CAS 1823-91-2 MFCD00001871

化学结构图

1823-91-2
SMILES: CC(C#N)c1ccccc1

化学属性

Mol. FormulaC9H9N
Mol. Weight131.17
Boiling Point230-232 °C at 760 mmHg
Density0.985
Refractive index1.5090 to 1.5140
Flash Point94°C(lit.)
TSCAYes
Melting Point210 °C

别名和识别编码

Chemical NameAlpha-Methylphenylacetonitrile
CAS Number1823-91-2
Alfabeta NameMETHYLPHENYLACETONITRILE ALPHA-
MDL NumberMFCD00001871
Synonym 2-Phenylpropanenitrile {LY} 2-Phenylpropanenitrile 2-phenylpropionitrile 2-phenylpropionitrile, (+-)-isomer {} {LY} 2-Phenylpropanenitrile {} {} {LY} 2-Phenylpropanenitrile {} {} {} {LY} 2-Phenylpropanenitrile {} {} {} {} {LY} 2-Phenylpropanenitrile {} {} {} {} {} {LY} 2-Phenylpropanenitrile {} {} {} {} {} {} {LY} 2-Phenylpropanenitrile {} {} {} {} {} {} {} {LY} 2-Phenylpropanenitrile {} {} {} {} {} {} {} {} {LY} 2-Phenylpropanenitrile {} {} {} {} {} {} {} {} {} {LY} 2-Phenylpropanenitrile {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylpropanenitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylpropanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylpropanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylpropanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylpropanenitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Ph
EC Number217-354-9
Beilstein Registry Number774576
PubChem Substance ID15761
Reaxys-RN774576
Chemical Name Translation2-苯丙腈
InChIKeyNVAOLENBKNECGF-UHFFFAOYSA-N
LabNetwork Molecule IDLN00111535
Canonical SMILESCC(C#N)C1=CC=CC=C1
InChIInChI=1S/C9H9N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,1H3
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分类

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

相关文献及参考

  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • 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)

安全信息

Warnings LACHRYMATOR, TOXIC
Packing GroupIII
UN Number UN 3276 6.1/PG 3 UN3276 3276
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
  • 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
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • 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
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
GHS Symbol
WGK Germany3
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H301+H311+H331
  • H302 Harmful if swallowed 吞食有害
  • H311 Toxic in contact with skin 皮肤接触中毒
  • 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
  • H331 Toxic if inhaled 吸入中毒
  • 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, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
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。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • 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
  • P301+P310+P330
  • P301+P312
  • P301+P316
  • P301+P317
  • P302+P350
  • P302+P352
  • P302+P352+P312+P361+P364
  • P304+P312
  • P304+P340
  • P304+P340+P311
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • 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。
  • P316
  • 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
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P361+P364
  • 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
Hazard Codes Xn Xn,Xi
Hazard Class6.1
Storage condition

其他信息

  • Acros Organics:甲基苄基氰(25克不再生产) alpha-Methylbenzyl cyanide, 96%(1823-91-2)
  • Alfa Aesar:α－甲基苯乙腈97% alpha-Methylphenylacetonitrile, 97%(1823-91-2)
  • α-甲基苯腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0860 2-苯丙腈 2-Phenylpropionitrile 1ML 124元 2014/06/02 P0860 2-苯丙腈 2-Phenylpropionitrile 10ML 429元 2010/06/21 126410050 α-甲基苯腈 alpha-Methylbenzyl cyanide 96% 5 GR 377元
  • TCI Shanghai:2-苯丙腈 2-Phenylpropionitrile,>;90.0%(GC)(1823-91-2)
  • Sigma Aldrich:1823-91-2(sigmaaldrich)
  • 图谱信息:α-甲基苯腈(1823-91-2)质谱(MS) α-甲基苯腈(1823-91-2)核磁图( 13 CNMR) α-甲基苯腈(1823-91-2)核磁图( 1 HNMR) α-甲基苯腈(1823-91-2)红外图谱(IR1)
  • MOL 文件:1823-91-2.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Catalysis and Inorganic Chemistry 催化剂和无机化学
  3. Iron - 铁催化剂
  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
  6. C6 to C7

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