Benzyl Cyanide 苯乙腈(易制毒,不能销售)

CAS 140-29-4 MFCD00001894

化学结构图

140-29-4
SMILES: N#CCC1CCCCC1

化学属性

Mol. FormulaC8H7N
Mol. Weight117
Density1.015
Refractive index1.5210 to 1.5240
Boiling Point233-234
Vapor Pressure0.1 mmHg ( 20 °C)
Melting Point-24
Flash Point101°C(lit.)
TSCAYes
Solubility不溶. <0.1 G/100 ML AT 17 ºC
pH-:A
Danger-Level-
Redox-

别名和识别编码

Chemical NameBenzyl Cyanide
Synonym a-Cyanotoluene Ω-氰甲苯 苯乙晴 苄腈 Toluene, a-cyano- Phenacetonitrile Phenylacetonitrile enzylcyanide (Cyanomethyl)benzene 氰化苄 alpha-Cyanotoluene 2-phenylacetonitrile ω-Cyanotoluene acetonitrile,phenyl- A-Tolunitril alpha-Tolunitrile Benzolacetonitril 苯基乙腈 {hazard_c Usaf kf-21 ?-Cyanotoluene 苯乙腈 alpha-cyano-toluen benzeneacetonitrile 苄基氰,氰化苄,W-氰代甲苯 ALPHA-TOLUNITRILE phenylacetonitrile Benzyl nitrile α-Phenylacetonitrile 苄甲腈 Benzeneacetonitrile; Alpha-tolunitrile; Phenyl acetyl nitrile {Che (Α-)苄基氰 苯乙氰 Phenyl acetonitrile α-tolunitrile Benzeneacetonitrile benzylnitrile BENZYL CYANIDE benzyl Toluene, α-cyano- a-Phenylacetonitrile PHENYLACETONITRILE ω-氰代甲苯 a-tolunitrile phenylethanenitrile LABOTEST-BB LT00891699 phenyl-acetonitrile 苄基氰 苯氢氨 omega-Cyanotoluene 苄腈/苯乙腈 aceticacid,phenyl-nitrile ALPHA-CYANOTOLUENE Benzyl cyanide 苄基腈 A-TOLUNITRILE acetonitrile, phenyl- Phenyl acetyl nitrile Acetonitrile, phenyl- 氰化苄基 α-Cyanotoluene 2-Phenylethanenitrile 苯 {hazard
CAS Number140-29-4
EC Number205-410-5
Beilstein Registry Number385941
MDL NumberMFCD00001894
PubChem Substance ID87574382
Merck Number1131
Reaxys-RN385941
Chemical Name Translation苯乙腈(易制毒,不能销售)
Wiswesser Line NotationNC1R
LabNetwork Molecule IDLN00226426
InChIInChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
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分类

  • {Chemicalbook} 农药中间体: 杀菌剂中间体: 酰胺类杀菌剂
  • {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

  • Merck: 14,1131 Beilstein:9,441
  • Merck: 14,1131
  • Short: II/24B
  • Short: II/24C

安全信息

Signal word Danger
GHS Symbol
WGK Germany3
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • 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;
  • 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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
  • 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);
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • 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
  • R24 Toxic in contact with skin 与皮肤接触有毒
  • R26 Very toxic by inhalation 吸入极毒
  • 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
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P301+P310
  • P301+P310+P330
  • P302+P350
  • P302+P352+P312+P361+P364
  • P304+P340+P310
  • P305+P351+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P332+P313
  • 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+H311
  • H330 Fatal if inhaled 吸入致命
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSAM1400000
Packing GroupIII
UN Number 2470
Hazard Codes 6.1 T+ T+,T
Hazard Class6.1
Storage condition 密封阴凉干燥保存。
Warnings 危化品目录(2015)
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 10 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: AD277-689

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 1100 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 5,161,1899

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 45500 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 32 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 12,447,1904

TYPE

Restrict 易制毒

其他信息

  • Acros Organics:苄腈/苯乙腈 Benzyl cyanide, 99+%(140-29-4)
  • 有芳香气味。能与乙醇和乙醚混溶,不溶于水。中等毒,半数致死量(大鼠,经口)270mg/kg。
  • 氰化苄价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 LA1069401 Alfa-A10694 500g 378元 2011/08/23 80016626 氰化苄 100ml 25.7元 2011/04/16 P0128 苯乙腈 Phenylacetonitrile 500ML 335元
  • TCI Shanghai:苯乙腈 Phenylacetonitrile,>;98.0%(GC)(140-29-4)
  • 急性毒性:口服- 大鼠 LD50: 270 毫克/ 公斤; 口服- 小鼠 LD50:45.5 毫克/ 公斤
  • {Chemicalb
  • 类别:有毒物品
  • MOL 文件:
  • 职业标准:STEL 0.8 毫克/ 立方米
  • 蒸气压:0.1 mm Hg ( 20 °C)
  • 用途二:主要用作医药、农药、染料和香料的中间体
  • 外观性质:无色油状液体,有刺激气味。
  • 可燃性危险特性:明火可燃; 燃烧产生有毒氮氧化物烟雾
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类、食品添加剂分开存放
  • 灭火剂:干粉、泡沫、二氧化碳、砂土。禁用酸碱灭火剂。
  • 用途三:苯乙腈是杀菌剂苯霜灵,杀虫剂辛硫磷、稻丰散,杀鼠剂敌鼠、氯鼠酮的中间体。
  • Hazard Note:Very Toxic
  • 图谱信息:氰化苄(140-29-4)红外图谱(IR1) 氰化苄(140-29-4)质谱(MS)
  • 下游产品:苯基乙基丙二酸二乙酯 --> 地莫西泮 --> 2-(4-硝基苯基)丁酸 --> S-2-(4-二氟甲氧基)苯基-3-甲基丁酸 --> 邻甲基苯乙腈 --> 3-氨基-4-苯基噻吩-2-甲酸甲酯 --> 3-甲基-2-(3,4-二甲氧基苯基)丁腈 --> 4-苯基-4-哌啶甲酸乙酯 --> 2-氨基-Α-甲基-(1,1'-联苯)-4-乙腈 --> 托品酸 --> 二溴三苯基膦 --> 双苯溴丁酸 --> 环己基苯基乙腈 --> α,α-二苯基-γ-丁内酯 --> 维拉帕米 --> Α-肟钠苯乙腈 --> 5-氯-3-苯基苯并-2,1-异噁唑 --> Α-(对氨基苯基)丁酸 --> 对硝基苯乙腈 --> Α-正丁基苯乙腈 --> 4'-(1-氰乙基)乙酰苯胺 --> 2,3-二苯基丙酸 --> 达舒平 --> 2-(4-氨基苯基)丙腈 --> 2-(4-硝基苯基)丙腈 --> 2-苯基丙酸 --> 烯氯苯乙酸 --> 阿普唑仑 --> 溴苯乙腈 --> 布替布芬 --> 2-苯基乙酰基乙腈 --> 3-硝基-4-乙酰氨基苯乙腈
  • 方法一:其制备方法是用氯化苄和氰化钠缩合制成。一般采用乙醇为溶剂,在加热回流下进行,也可以用水为介质,加相转移催化剂,反应温度80~100℃,反应结束后与溶剂分离,再经精馏得成品。
  • F:8-9
  • 方法二:由氯化苄和氰化钠反应而得。反应在酒精溶剂中进行,以二甲胺为催化剂。反应温度为80-100℃。反应得到苯乙腈粗品后,通过减压精馏而得成品。精制品纯度可达99%,收率约90%。原料消耗定额:氯化苄(96%)1270kg/t、氰化钠490kg/t、乙醇(95%)544kg/t、二甲胺(30%)17kg/t。
  • 刺激数据:皮肤- 兔子 500
  • 用途四:用来生产医药、农药的中间体苯乙酸、苯乙胺、二苯乙腈、α-苯乙酰胺、苯乙酸乙酯,β-苯乙醇、苯乙醛、邻乙苯基苯甲酸、α-氯代苯乙酸乙酯等,用于制造辛硫磷、稻丰散、青霉素、苯巴比妥等。
  • Sigma Aldrich:140-29-4(sigmaaldrich)
  • 毒性分级:高毒

系列性分类


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