4-Chlorobenzonitrile 对氯苯腈

CAS 623-03-0 MFCD00001813

化学结构图

623-03-0
SMILES: N#Cc1ccc(Cl)cc1

化学属性

Mol. FormulaC7
Mol. Weight138
Density1.11
Flash Point108°(226°F)
TSCAYes
Boiling Point223
Melting Point90-93
Solubility不溶
Appearance 产品为无色透明液体或结晶体，熔点为91-93℃，沸点为223℃。

别名和识别编码

Chemical Name4-Chlorobenzonitrile
CAS Number623-03-0
Alfabeta NameCHLOROBENZONITRILE 4-
MDL NumberMFCD00001813
Synonym 1-CHLORO-4-CYANOBENZENE 4-CHLOROBENZONITRILE 4-Chlorobenzonitrile 4-Cyanochlorobenzene 4-chloro-benzonitrile 4-氯氰苯 4-氯苄腈 4-氯苄腈，4-氯苯甲腈 PCBN 4-氯苯甲腈,99% 4-氯苯腈 p-Chlorbenzonitrile p-Chlorobenzonitrile p-Chlorocyanobenzene AKOS B004081 LABOTEST-BB LT01147713 Nitril kyseliny p-chlorbenzoove P-CHLORBENZONITRILE PARA-CHLOROBENZONITRILE PCBN nitrilkyselinyp-chlorbenzoove p-Chlorobenzonitrile; PCBN p-Cyanochlorobenzene p-chloro-benzonitril 对氯苄腈 对氯苄腈, 4-氯苄腈 对氯苯腈 對氯苯甲腈
EC Number210-765-4
Beilstein Registry Number1072122
PubChem Substance ID12163
Reaxys-RN1072122
Chemical Name Translation对氯苯腈
Wiswesser Line NotationNCR DG
LabNetwork Molecule IDLN00173960
InChIInChI=1S/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H
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分类

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

相关文献及参考

  • Short: II/19c
  • Beilstein:9,341
  • Short: II/19b

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany2
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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Risk Statements
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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。
  • 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+P330
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSDI2800000
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302+H332
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xn
Packing GroupIII
Hazard Class6.1(b)
UN Number 3439 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >300 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: 21,906,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 150 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: AD691-490

其他信息

  • 可燃性危险特性:遇热可燃; 与水, 酸反应生成有毒氰化物; 热分解排出有毒氮氧化物, 氰化物和氯化物烟雾
  • Sigma Aldrich:623-03-0(sigmaaldrich)
  • 毒性分级:高毒
  • 用途一:用作染料、医药中间体
  • TCI Shanghai:4-氯苯甲氰 4-Chlorobenzonitrile,>;98.0%(GC)(623-03-0)
  • 下游产品:4-哌嗪基苯甲腈 --> 4-氯苄脒碘化盐 --> 4-氯苯甲脒盐酸盐
  • Acros Organics:4-氯苯甲腈 4-Chlorobenzonitrile, 99%(623-03-0)
  • 对氯苯甲腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0135 4-氯苯甲腈 4-Chlorobenzonitrile 25G 357元 2014/06/02 C0135 4-氯苯甲腈 4-Chlorobenzonitrile 500G 3140元 2010/06/21 151870250 对氯苯甲腈 4-Chlorobenzonitrile 99% 25 GR 518元
  • 不溶于水。
  • 储运特性:库房低温通风干燥; 防水, 防潮, 与酸, 氧化剂, 食品原料分开存放
  • 图谱信息:对氯苯甲腈(623-03-0)核磁图( 13 CNMR) 对氯苯甲腈(623-03-0)质谱(MS) 对氯苯甲腈(623-03-0)红外图谱(IR2) 对氯苯甲腈(623-03-0)Raman光谱 对氯苯甲腈(623-03-0)核磁图( 1 HNMR) 对氯苯甲腈(623-03-0)红外图谱(IR1)
  • 类别:有毒物质
  • 海关编码:29269095
  • 用途二:染料、医药和农药中间体。
  • 急性毒性:口服-小鼠 LD50: >; 300 毫克/公斤; 腹腔-小鼠 LD50: 150 毫克/公斤
  • Alfa Aesar:4-氯苯甲腈,99% 4-Chlorobenzonitrile, 99%(623-03-0)
  • MOL 文件:623-03-0.mol
  • MSDS 信息:4-Chlorobenzonitrile(623-03-0).msds
  • 刺激数据:眼睛-兔 100 毫克/24小时 中度
  • 灭火剂:二氧化碳, 泡沫, 干粉
  • Hazard Note:Harmful

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
  1. Materials Science 材料科学
  2. Building Blocks for Liquid Crystals

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