3-Chlorophenylacetonitrile 3-氯苯乙腈

CAS 1529-41-5 MFCD00001908

化学结构图

1529-41-5
SMILES: N#CCc1cccc(Cl)c1

化学属性

Mol. FormulaC8H6ClN
Mol. Weight151.59
Density1.283 g/mL at 25 °C(lit.)
Refractive index1.5410 to 1.5450
Boiling Point270°C at 760 mmHg
Melting Point11-13°C
Flash Point113°C
TSCANo

别名和识别编码

Chemical Name3-Chlorophenylacetonitrile
CAS Number1529-41-5
Alfabeta NameCHLOROPHENYLACETONITRILE 3()-
MDL NumberMFCD00001908
EC Number216-213-9
Beilstein Registry Number9(4)1675
Synonym (3-Chlorophenyl)acetonitrile {LY} (3-Chlorophenyl)acetonitrile {} {LY} (3-Chlorophenyl)acetonitrile {} {} {LY} (3-Chlorophenyl)acetonitrile {} {} {} {LY} (3-Chlorophenyl)acetonitrile {} {} {} {} {LY} (3-Chlorophenyl)acetonitrile {} {} {} {} {} {LY} (3-Chlorophenyl)acetonitrile {} {} {} {} {} {} {LY} (3-Chlorophenyl)acetonitrile {} {} {} {} {} {} {} {LY} (3-Chlorophenyl)acetonitrile {} {} {} {} {} {} {} {} {LY} (3-Chlorophenyl)acetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (3-Chlorophenyl)acetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (3-Chlorophenyl)acetonitrile {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} (3-Chlorophenyl)acetonitrile {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} (3-Chlorophenyl)acetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (3-Chlorophenyl)acetonitrile
PubChem Substance ID73722
Reaxys-RN2042965
Chemical Name Translation3-氯苯乙腈
InChIKeyGTIKLPYCSAMPNG-UHFFFAOYSA-N
Wiswesser Line NotationNC1R CG
LabNetwork Molecule IDLN00173442
InChIInChI=1S/C8H6ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2
Canonical SMILESC1=C(CC#N)C=CC=C1Cl
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分类

  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

安全信息

Warnings IRRITANT
Signal word Danger Warning
GHS Symbol
WGK Germany3
Safety Statements
  • 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;
  • 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);
  • 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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
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
  • 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
Precautionary statements
  • 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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P332+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P310
  • 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。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P302+P350
  • P337+P313
  • P403+P233
  • 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。
  • P304+P340+P311
  • 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。
Hazard statements
  • H301+H311+H331
  • H331 Toxic if inhaled 吸入中毒
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H301 Toxic if swallowed 吞食有毒
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSAL8240000
Packing GroupIII
UN Number UN3276 UN 3276 6.1/PG 1 3276
Hazard Codes T
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 38 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   PCBPBS Pesticide Biochemistry and Physiology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1971-  Volume(issue)/page/year:
   2,95,1972

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 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#03833

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

  • Alfa Aesar:3-氯苯乙腈,99% 3-Chlorophenylacetonitrile, 99%(1529-41-5)
  • 图谱信息:间氯氰苄(1529-41-5)核磁图( 1 HNMR) 间氯氰苄(1529-41-5)核磁图( 13 CNMR) 间氯氰苄(1529-41-5)红外图谱(IR1) 间氯氰苄(1529-41-5)质谱(MS)
  • 用途二:用作氯羟安定药物中间体
  • 检测方法:GC
  • 下游产品:2-(3-氯苯基)乙胺
  • 间氯氰苄价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30229280 3-氯苯乙腈 25g 475元 2011/04/16 C1091 3-氯苯乙腈 3-Chlorobenzyl Cyanide 25G 717元 2010/06/21 108800250 间氯氰苄 3-Chlorobenzyl cyanide 99% 25 GR 579元
  • MOL 文件:1529-41-5.mol
  • 用途一:用作有机合成中间体
  • MSDS 信息:3-Chlorobenzyl cyanide(1529-41-5).msds
  • 用途三:氯羟安定中间体。
  • Acros Organics:间氯苯基乙腈/间氰基苄氯 3-Chlorobenzyl cyanide, 99%(1529-41-5)
  • Sigma Aldrich:1529-41-5(sigmaaldrich)
  • TCI Shanghai:间氯苯乙腈 3-Chlorobenzyl Cyanide,>;98.0%(GC)(1529-41-5)

系列性分类


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