Diphenylacetonitrile 二苯乙腈

CAS 86-29-3 MFCD00001862

化学结构图

86-29-3
SMILES: N#CC(c1ccccc1)C1CCCCC1

化学属性

Mol. FormulaC14H11N
Mol. Weight193.24
Density1.076
Boiling Point181°C at 760 mmHg
Melting Point71-73°C
Flash Point120°(248°F)
TSCAYes
Solubility不溶
Appearance 白色结晶。熔点76℃,沸点181℃(1.6kPa)。溶于乙醇、乙醚。

别名和识别编码

Chemical NameDiphenylacetonitrile
Synonym Diphenylacetonitrile {LY} Diphenylacetonitrile {} {LY} Diphenylacetonitrile {} {} {LY} Diphenylacetonitrile {} {} {} {LY} Diphenylacetonitrile {} {} {} {} {} {} {} {} {LY} Diphenylacetonitrile {} {} {} {} {} {LY} Diphenylacetonitrile {} {} {} {} {} {} {LY} Diphenylacetonitrile {} {} {} {} {} {} {} {LY} Diphenylacetonitrile {} {} {} {} {} {} {} {} {LY} Diphenylacetonitrile {} {} {} {} {} {} {} {} {} {LY} Diphenylacetonitrile {} {} {} {} {} {} {} {} {} {} {LY} Diphenylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} Diphenylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diphenylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diphenylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diphenylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diphenylacetonitrile {} {} {} {} {} {} {} {} {} {} {}
CAS Number86-29-3
EC Number201-662-5
Beilstein Registry Number9,674
MDL NumberMFCD00001862
PubChem Substance ID87566964
Merck Number3316
Reaxys-RN1911160
Chemical Name Translation二苯乙腈
Wiswesser Line NotationNCYR&R
LabNetwork Molecule IDLN00222456
InChIInChI=1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
Canonical SMILESN#CC(C1=CC=CC=C1)C2=CC=CC=C2
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Building Blocks, C10 to C27, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

产品应用

  • 用作有机合成中间体。在医药方面用来生产胃胺、苯乙哌啶、类散痛等药物

相关文献及参考

  • Merck: 14,3316 Beilstein:9,674
  • Merck: 14,3316
  • In the presence of a phase-transfer catalyst, undergoes an unusual addition reaction with acetylene and other alkynes: Org. Synth. Coll., 6, 940 (1988):
  • Short: III/5b
  • Short: EINECS

安全信息

Signal word Warning
GHS Symbol
WGK Germany2
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;
  • S36/37/39 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;
  • S37 Wear suitable gloves 戴适当手套;
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
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
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • 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)。
  • 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
  • P403+P233
  • 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
  • H303 May be harmfully swallowed 吞食可能有害
  • 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 dust mask type N95 (US), Eyeshields, Gloves
RTECSAL9800000
Hazard Codes Xi
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 464 mg/kg
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Blood - tumors
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB223-159

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 61 gm/kg/78W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Liver - tumors
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB223-159

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 3500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   30ZDA9 "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag
   New York, Inc., 1971  Volume(issue)/page/year: -,155,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD691-490

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   RREVAH Residue Reviews.  (Springer-Verlag New York, Inc., Service Center, 44
   Hartz Way, Secaucus, NJ 07094)  V.1-    1962-  Volume(issue)/page/year:
   10,97,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#04134

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 te

其他信息

  • 用途三:用作有机合成中间体。在医药方面用来生产胃胺、苯乙哌啶、类散痛等药物
  • 不溶于水,溶于热醇、丙二醇、热挥发油和醚;微溶于冷挥发油。
  • 下游产品:洛哌丁胺 --> 3,3-二苯基四氢呋喃-2-亚基二甲基溴化胺 --> 联苯乙醛 --> 溴乙基二苯乙腈 --> 胃安 --> 地芬诺酯 --> 盐酸美沙酮 --> 多沙普仑
  • TCI Shanghai:二苯乙腈 Diphenylacetonitrile,>;99.0%(GC)(86-29-3)
  • 图谱信息:二苯乙腈(86-29-3)红外图谱(IR2) 二苯乙腈(86-29-3)红外图谱(IR1) 二苯乙腈(86-29-3)核磁图( 1 HNMR) 二苯乙腈(86-29-3)Raman光谱 二苯乙腈(86-29-3)质谱(MS) 二苯乙腈(86-29-3)核磁图( 13 CNMR)
  • 上游原料:氰化苄
  • Alfa Aesar:二苯乙腈,99% Diphenylacetonitrile, 99%(86-29-3)
  • 方法一:由苯乙腈经溴化、缩合而得
  • 海关编码:29269095
  • MOL 文件:86-29-3.mol
  • MSDS 信息:Diphenylacetonitrile(86-29-3).msds
  • 用途二:可作除草剂,芽前用于草皮防除禾本科幼草
  • 二苯乙腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0261 二苯乙腈 Diphenylacetonitrile 25G 195元 2014/06/02 D0261 二苯乙腈 Diphenylacetonitrile 500G 1240元 2010/06/21 150361000 二苯乙腈 Diphenylacetonitrile 99+% 100 GR 432元
  • 用途一:用作有机合成中间体。在医药方面用来生产胃胺、苯乙哌啶、类散痛等药物。
  • Acros Organics:二苯乙腈 Diphenylacetonitrile, 99+%(86-29-3)
  • Sigma Aldrich:86-29-3(sigmaaldrich)

系列性分类


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