2-Aminobenzonitrile 2-氨基苯甲腈

CAS 1885-29-6 MFCD00007631

化学结构图

1885-29-6
SMILES: N#Cc1ccccc1N

化学属性

Mol. FormulaC7H6N2
Mol. Weight118.14
Boiling Point267.5°C at 760 mmHg
Melting Point45-48°C
TSCAT
Density1.14
Flash Point145°(293°F)
Solubility不溶
Appearance 浅黄色结晶。熔点47-50℃，沸点268℃。

别名和识别编码

Chemical Name2-Aminobenzonitrile
CAS Number1885-29-6
Alfabeta NameAMINOBENZONITRILE 2-
MDL NumberMFCD00007631
Synonym 2-Aminobenzonitrile {LY} 2-Aminobenzonitrile {} {LY} 2-Aminobenzonitrile {} {} {LY} 2-Aminobenzonitrile {} {} {} {LY} 2-Aminobenzonitrile {} {} {} {} {LY} 2-Aminobenzonitrile {} {} {} {} {} {LY} 2-Aminobenzonitrile {} {} {} {} {} {} {LY} 2-Aminobenzonitrile {} {} {} {} {} {} {} {LY} 2-Aminobenzonitrile {} {} {} {} {} {} {} {} {LY} 2-Aminobenzonitrile {} {} {} {} {} {} {} {} {} {LY} 2-Aminobenzonitrile {} {} {} {} {} {} {} {} {} {} {LY} 2-Aminobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Aminobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Aminobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Aminobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Aminobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Aminobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Aminobenz
EC Number217-549-9
Beilstein Registry Number907187
PubChem Substance ID72913
Reaxys-RN907187
Chemical Name Translation2-氨基苯甲腈
Wiswesser Line NotationZR BCN
LabNetwork Molecule IDLN00008421
InChIInChI=1S/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2
Canonical SMILESC1=CC(=C(C=C1)C#N)N
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分类

  • Amines
  • Aromatics
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Building Blocks, C6 to C7, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

产品应用

  • 2-Aminobenzonitrile is used for induction of nitrilase activity in Arthrobacter and as a radioprotective agent.

相关文献及参考

  • Beilstein:14(2)210
  • Houseman, A., et al.: Biochem. 32, 4430 (1993),
  • Short: EINECS
  • Short: III/35B

安全信息

Warnings IRRITANT, TOXIC
Signal word
GHS Symbol
WGK Germany2
Safety Statements
  • 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；
  • 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；
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R21 Harmful in contact with skin 与皮肤接触有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Precautionary statements
  • 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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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。
  • P301+P312
  • P302+P350
  • P302+P352
  • P304+P312
  • P304+P340
  • P304+P340+P311
  • P305+P351+P338
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P333+P313
  • P337+P313
  • 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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • 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+H331
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
RTECSCB4575000
Packing GroupIII
UN Number 3439 3276 UN3439
Hazard Codes Xn,T,Xi Xn
Hazard Class6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 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#00381

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 41,41,1986

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Sigma Aldrich:1885-29-6(sigmaaldrich)
  • Acros Organics:2-氨基苯甲腈 Anthranilonitrile, 98%(1885-29-6)
  • 用途一:用于有机合成
  • 可燃性危险特性:可燃; 燃烧产生有毒氮氧化物和氰化物烟雾
  • 类别:有毒物质
  • Alfa Aesar:2-氨基苯甲腈,98% 2-Aminobenzonitrile, 98%(1885-29-6)
  • TCI Shanghai:2-氨基苯甲腈 2-Aminobenzonitrile,>;98.0%(GC)(1885-29-6)
  • TSCA:T
  • 毒性分级:中毒
  • MOL 文件:1885-29-6.mol
  • 图谱信息:2-氨基苯甲腈(1885-29-6)红外图谱(IR1) 2-氨基苯甲腈(1885-29-6)核磁图( 1 HNMR) 2-氨基苯甲腈(1885-29-6)质谱(MS) 2-氨基苯甲腈(1885-29-6)核磁图( 13 CNMR)
  • MSDS 信息:2-Aminobenzonitrile(1885-29-6).msds
  • 海关编码:29269095
  • 不溶于水，溶于大多数有机溶剂。
  • 下游产品:9-胺-1,2,3,4-四氢盐酸氯酯 --> 2-氨基-5-氯苯腈
  • 储运特性:库房通风低温干燥
  • 2-氨基苯甲腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0861 2-氨基苯甲腈 2-Aminobenzonitrile 500G 3390元 2014/06/02 A0861 2-氨基苯甲腈 2-Aminobenzonitrile 25G 404元 2010/06/21 104921000 2-氨基苯甲腈 2-Aminobenzonitrile 98% 100 GR 1029元
  • 急性毒性:腹腔-小鼠 LD50: 1000 毫克/公斤; 静脉-小鼠 LD50: 180 毫克/公斤
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水

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. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  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. C6 to C7 - 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. C6 to C7 - 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. C10 to C27