4-Chlorobenzyl cyanide 对氯苯乙腈

CAS 140-53-4 MFCD00001918

化学结构图

140-53-4
SMILES: N#CCc1ccc(Cl)cc1

化学属性

Mol. FormulaC8H6ClN
Mol. Weight151.59
Density1.19
Refractive index1.5430
Flash Point134°C
TSCAYes
Boiling Point265-267°C at 760 mmHg
Melting Point25-28°C
Appearance 无色至浅黄色固体。 溶于丙酮及乙醇。
Solubility溶于丙酮及乙醇
pH:A

别名和识别编码

Chemical Name4-Chlorobenzyl cyanide
CAS Number140-53-4
Alfabeta NameCHLOROBENZYLCYANIDE 4-
MDL NumberMFCD00001918
Synonym 4-Chlorobenzyl cyanide {LY} 4-Chlorobenzyl cyanide {} {LY} 4-Chlorobenzyl cyanide {} {} {LY} 4-Chlorobenzyl cyanide {} {} {} {LY} 4-Chlorobenzyl cyanide {} {} {} {} {LY} 4-Chlorobenzyl cyanide {} {} {} {} {} {LY} 4-Chlorobenzyl cyanide {} {} {} {} {} {} {LY} 4-Chlorobenzyl cyanide {} {} {} {} {} {} {} {LY} 4-Chlorobenzyl cyanide {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzyl cyanide {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzyl cyanide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzyl cyanide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzyl cyanide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzyl cyanide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzyl cyanide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzyl cyanide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number205-418-9
Beilstein Registry Number9(4)1676
PubChem Substance ID87565686
Reaxys-RN971171
Chemical Name Translation对氯苯乙腈
Wiswesser Line NotationNC1R DG
LabNetwork Molecule IDLN00008502
InChIKeyIVYMIRMKXZAHRV-UHFFFAOYSA-N
InChIInChI=1S/C8H6ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
Canonical SMILESClC1=CC=C(CC#N)C=C1
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分类

  • {Chemicalbook} 农药中间体: 杀虫剂中间体: 拟除虫菊酯类杀虫剂
  • {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
  • Short: III/20b

安全信息

Warnings IRRITANT
Signal word
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;
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服;
  • S20 When using do not eat or drink 使用时,不得进食,饮水;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
  • S4 Keep away from living quarters 远离生活区;
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所;
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
  • P301+P310
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P305+P351+P338
  • P301+P310+P330
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P332+P313
  • P302+P352+P332+P313+P362+P364
  • P405 Store locked up. 上锁保管。
  • P305+P351+P338+P337+P313
  • 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。
RTECSAL8250000
Packing GroupII
UN Number 3439 UN 2811 6.1/PG 3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • 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
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H300 Fatal if swallowed 吞食致命
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes T T,Xi
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 27 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#07883

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 150 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   14,1325,1965

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • Acros Organics:4-氯苄腈 4-Chlorobenzyl cyanide, 98+%(140-53-4)
  • MSDS 信息:4-Chlorobenzyl cyanide(140-53-4).msds
  • 对氯苯乙腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0585 4-氯苯乙腈 4-Chlorobenzyl Cyanide 25G 150元 2014/06/02 C0585 4-氯苯乙腈 4-Chlorobenzyl Cyanide 500G 896元 2010/06/21 108811000 对氯苯乙腈 4-Chlorobenzyl cyanide 98+% 100 GR 259元
  • Hazard Note:Irritant/Toxic
  • 上游原料:氰化钠 --> 对氯甲苯 --> 4-氯氯苄 --> 十二烷基二甲基苄基溴化铵
  • 防护措施:本品高毒。对皮肤及眼睛刺激性大,有催泪作用。车间应加强通风,设备应密闭,操作时穿戴好防护用具(如护目镜,防毒面具,手套等)。溅及皮肤时,可用乙醇冲洗。
  • 用途二:对氯氰苄即对氯苯乙腈,是制备3-甲基-2-(4-氯苯基)丁酸的中间体,可用以制备氰戊菊酯、溴灭菊酯等拟除虫菊酯杀虫剂,并可用于医药工业制备乙胺嘧啶。
  • 储运特性:库房低温通风干燥; 与酸分开存放
  • 下游产品:氰戊菊酯 --> 氯菊酯 --> 腈菌唑 --> α-异丙基对氯苯基乙腈 --> 杀虫菊酯 --> 溴灭菊酯 --> α-异丙基对氯苯基乙酸 --> 西布曲明 --> 4-羟基苯乙酰胺 --> 2-(4-氯苯基)己腈 --> 乙胺嘧啶
  • 方法二:由对氯氯苄与氰化钠反应而得。将对氯氯苄及新洁尔灭加入反应锅,加热至100℃,慢慢加入氰化钠水溶液,在100-104℃下反应5h(加氰化钠3h,保温2h)。然后加水溶解氯化钠,分去水层,得对氯氰苄粗品,减压蒸馏,收集160(2.66kPa)馏分得成品。收率81%以上。对氯氯苄与氰化钠在乙醇中于83-85℃回流4h,也可制得该品。工业用中间体为微黄色液体,含对氯氰苄≥90%。原料消耗定额:对氯氯苄(92%)1432kg/t、氰化钠(95%)450kg/t、新洁尔灭(90%以上)18kg/t。
  • 海关编码:29269095
  • 急性毒性:口服-大鼠 LD50: 50 毫克/公斤;腹腔-小鼠 LD50: 27 毫克/公斤;
  • 灭火剂:雾水,二氧化碳, 泡沫, 干粉
  • 类别:有毒物质
  • TCI Shanghai:4-氯苯乙腈 4-Chlorobenzyl Cyanide,>;98.0%(GC)(140-53-4)
  • 图谱信息:对氯苯乙腈(140-53-4)质谱(MS) 对氯苯乙腈(140-53-4)核磁图( 13 CNMR) 对氯苯乙腈(140-53-4)核磁图( 1 HNMR) 对氯苯乙腈(140-53-4)红外图谱(IR1)
  • Sigma Aldrich:140-53-4(sigmaaldrich)
  • 用途三:药物乙胺嘧啶的中间体。用于制造对氯苯甲醇、对氯苯甲醛、对氯苯乙腈等。
  • 可燃性危险特性:热分解排出有毒氮氧化物, 氯化物烟雾
  • 毒性分级:高毒
  • Alfa Aesar:4-氯苯基乙腈,98+% 4-Chlorophenylacetonitrile, 98+%(140-53-4)
  • MOL 文件:140-53-4.mol
  • 常规方法:用铁桶或塑料桶包装,按剧毒危险品规定贮运。
  • 用途一:用作药物乙胺嘧啶的中间体及用于医药、染料的合成
  • 方法一:其制备方法是将固体氰化钠和水加入反应器中,加热至40℃,使氰化钠溶解,加入相转移催化剂,再滴加对氯氯苄,滴加温度40~60℃,滴加完后在85℃搅拌反应4h,冷却后处理得对氯氰苄。

系列性分类


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