4-Aminobenzonitrile 4-氨基苯腈

CAS 873-74-5 MFCD00007821

化学结构图

873-74-5
SMILES: N#Cc1ccc(N)cc1

化学属性

Mol. FormulaC7H6N2
Mol. Weight118.14
Melting Point83-85°C
TSCAT
Density1.14
Boiling Point286.5°C at 760 mmHg

别名和识别编码

Chemical Name4-Aminobenzonitrile
CAS Number873-74-5
Alfabeta NameAMINOBENZONITRILE 4-
MDL NumberMFCD00007821
Synonym 4-Aminobenzonitrile {LY} 4-Aminobenzonitrile 4-aminobenzonitrile p-aminobenzonitrile para-aminobenzonitrile {} {LY} 4-Aminobenzonitrile {} {} {LY} 4-Aminobenzonitrile {} {} {} {LY} 4-Aminobenzonitrile {} {} {} {} {LY} 4-Aminobenzonitrile {} {} {} {} {} {LY} 4-Aminobenzonitrile {} {} {} {} {} {} {LY} 4-Aminobenzonitrile {} {} {} {} {} {} {} {LY} 4-Aminobenzonitrile {} {} {} {} {} {} {} {} {LY} 4-Aminobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Aminobenzonitrile {} {} {} {} {} {} {} {} {} {} {LY} 4-Aminobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Aminobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Aminobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Aminobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Aminobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Aminoben
EC Number212-850-1
Beilstein Registry Number14(3)1079
PubChem Substance ID13396
Chemical Name Translation4-氨基苯腈
Reaxys-RN774507
Wiswesser Line NotationZR DCN
LabNetwork Molecule IDLN00010989
InChIInChI=1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2
Canonical SMILESNC1=CC=C(C#N)C=C1
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分类

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

产品应用

  • 4-Aminobenzonitrile is an amino substituted benzonitrile with hypotensive activity. 4-Aminobenzonitrile is used as radioprotective agent

相关文献及参考

  • Beilstein:14(3)1079
  • Short: III/31a
  • Fernandez, J.P.: Farm. Ediz. Sci., 41, 41 (1986); Cheav, S.L. et al.: Ann. Pharm. Fran., 44, 363 (1987); Hesk, D. et al.: Xenobiotica, 18, 955 (1988);
  • Short: III/35B

安全信息

Warnings IRRITANT
Signal word Danger Warning
GHS Symbol
WGK Germany3
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 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
Risk Statements
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • R36 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
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。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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+P310
  • P301+P310+P330
  • P301+P312
  • P301+P316
  • P301+P317
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • 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。
  • P316
  • P319
  • 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
  • P332+P317
  • P337+P313
  • P337+P317
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P361+P364
  • 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
  • P362+P364
  • 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 Toxic if swallowed 吞食有毒
  • H302 Harmful if swallowed 吞食有害
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H331 Toxic if inhaled 吸入中毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
RTECSBX2320000
Packing GroupIII
UN Number 3439 UN 2811 6.1/PG 3 UN3439
Hazard Codes Xn Xn,Xi
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 168 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0555306

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 155 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 17,900,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 283 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0555306

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - quail
DOSE/DURATION           : 23700 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AECTCV Archives of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   0709

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

  • Acros Organics:4-氨基苯甲腈 4-Aminobenzonitrile, 98%(873-74-5)
  • MOL 文件:873-74-5.mol
  • MSDS 信息:p-Cyanoaniline(873-74-5).msds
  • 图谱信息:对氨基苯腈(873-74-5)红外图谱(IR1) 对氨基苯腈(873-74-5)核磁图( 1 HNMR) 对氨基苯腈(873-74-5)Raman光谱 对氨基苯腈(873-74-5)核磁图( 13 CNMR) 对氨基苯腈(873-74-5)质谱(MS)
  • TCI Shanghai:4-氨基苯腈 4-Aminobenzonitrile,>;98.0%(GC)(T)(873-74-5)
  • TSCA:T
  • Alfa Aesar:4-氨基苯甲腈,98% 4-Aminobenzonitrile, 98%(873-74-5)
  • Sigma Aldrich:873-74-5(sigmaaldrich)
  • 海关编码:29269095
  • 检测方法:HPLC
  • 存储注意事项:光敏感
  • 对氨基苯腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 164470500 对氨基苯腈 4-Aminobenzonitrile 98% 50 GR 1202元 2010/06/21 164470100 对氨基苯腈 4-Aminobenzonitrile 98% 10 GR 294元 2010/06/21 164472500 对氨基苯腈 4-Aminobenzonitrile 98% 250 GR 4744元
  • 用途一:农药中间体,也用于香料的合成
  • Hazard Note:Harmful
  • 下游产品:4-(二甲胺基)苄胺二盐酸盐 --> 4-(二甲胺基)苄腈 --> 4-氰基苯异氰酸酯 --> 比卡鲁胺

系列性分类