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

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳基卤代烃
  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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