CAS 140-29-4 MFCD00001894-Benzyl Cyanide 苯乙腈(易制毒，不能销售) TAO{mole}

Benzyl Cyanide 苯乙腈(易制毒，不能销售)

CAS 140-29-4 MFCD00001894

化学结构图

SMILES: N#CCC1CCCCC1

化学属性

Mol. Formula	C8H7N
Mol. Weight	117
Density	1.015
Refractive index	1.5210 to 1.5240
Boiling Point	233-234
Vapor Pressure	0.1 mmHg ( 20 °C)
Melting Point	-24
Flash Point	101°C(lit.)
TSCA	Yes
Solubility	不溶. <0.1 G/100 ML AT 17 ºC
pH	-:A
Danger-Level	-
Redox	-

别名和识别编码

Chemical Name	Benzyl 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 Number	140-29-4
EC Number	205-410-5
Beilstein Registry Number	385941
MDL Number	MFCD00001894
PubChem Substance ID	87574382
Merck Number	1131
Reaxys-RN	385941
Chemical Name Translation	苯乙腈(易制毒，不能销售)
Wiswesser Line Notation	NC1R
LabNetwork Molecule ID	LN00226426
InChI	InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2

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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

上
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