2-Chlorobenzonitrile 邻氯苯腈

CAS 873-32-5 MFCD00001779

化学结构图

873-32-5
SMILES: N#Cc1ccccc1Cl

化学属性

Mol. FormulaC7H4ClN
Mol. Weight137.57
Flash Point122°C
TSCAYes
Melting Point43-46°C
Boiling Point232°C at 760 mmHg
Density1.18
Appearance 针状结晶。熔点43-46℃，沸点232℃，闪点108℃。溶于乙醚、乙醇。

别名和识别编码

Chemical Name2-Chlorobenzonitrile
MDL NumberMFCD00001779
Synonym 2-Chlorobenzonitrile {LY} 2-Chlorobenzonitrile {} {LY} 2-Chlorobenzonitrile {} {} {LY} 2-Chlorobenzonitrile {} {} {} {LY} 2-Chlorobenzonitrile {} {} {} {} {LY} 2-Chlorobenzonitrile {} {} {} {} {} {LY} 2-Chlorobenzonitrile {} {} {} {} {} {} {LY} 2-Chlorobenzonitrile {} {} {} {} {} {} {} {LY} 2-Chlorobenzonitrile {} {} {} {} {} {} {} {} {LY} 2-Chlorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorobenzonitrile {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorobenzonitrile {} {} {} {} {} {} {} {} {} {} {}
EC Number212-836-5
CAS Number873-32-5
Beilstein Registry Number1363916
PubChem Substance ID13391
Reaxys-RN1363916
Chemical Name Translation邻氯苯腈
InChIKeyNHWQMJMIYICNBP-UHFFFAOYSA-N
Wiswesser Line NotationNCR BG
LabNetwork Molecule IDLN00008367
InChIInChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H
Canonical SMILESN#CC1=CC=CC=C1Cl
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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

产品应用

  • 有机合成中间体。

相关文献及参考

  • Beilstein:9(4)965
  • Short: II/24B
  • Short: II/24C
  • The activated Cl substituent can be displaced with carbanions, using KO-t-Bu in DMF: J. Org. Chem., 55, 4817 (1990).

安全信息

RTECSDI2625000
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；
UN Number 3439 UN3439
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
Signal word Warning
GHS Symbol
WGK Germany2
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。
  • 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
  • P302+P352+P312+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Packing GroupIII
Hazard statements
  • H302+H312
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • 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 Xn,Xi
Hazard Class6.1 
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

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 检测方法:GC
  • Hazard Note:Harmful/Irritant
  • 溶于乙醚、乙醇；不溶于水。
  • Alfa Aesar:2-氯苯甲腈,98% 2-Chlorobenzonitrile, 98%(873-32-5)
  • 图谱信息:邻氯苯腈(873-32-5)核磁图( 13 CNMR) 邻氯苯腈(873-32-5)核磁图( 1 HNMR) 邻氯苯腈(873-32-5)质谱(MS) 邻氯苯腈(873-32-5)Raman光谱 邻氯苯腈(873-32-5)红外图谱(IR1) 邻氯苯腈(873-32-5)红外图谱(IR2)
  • Sigma Aldrich:873-32-5(sigmaaldrich)
  • 用途二:有机合成中间体。主要用于合成染料中间体2-氰基-4-硝基苯胺，医药工业用于合成抗疟疾新药硝喹等。
  • 海关编码:29269095
  • 可燃性危险特性:遇热可燃;热分解, 或与水, 水蒸气, 酸, 酸雾接触排出有毒氮氧化物, 氯化物, 氰化物烟雾
  • 邻氯苯腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1130 2-氯苯甲腈 2-Chlorobenzonitrile 500G 980元 2014/06/02 C1130 2-氯苯甲腈 2-Chlorobenzonitrile 25G 195元 2010/06/21 108672500 邻氯苯腈 2-Chlorobenzonitrile 99% 250 GR 722元
  • 刺激数据:眼睛-兔 100 毫克/24小时 中度
  • 用途一:用于染料、医药及其他精细化工中间体
  • MOL 文件:873-32-5.mol
  • 类别:有毒物质
  • 上游原料:2-氯苯甲酸 --> 氨基磺酸
  • TCI Shanghai:2-氯苯甲腈 2-Chlorobenzonitrile,>;98.0%(GC)(873-32-5)
  • Acros Organics:2-氯苯甲腈 2-Chlorobenzonitrile, 99%(873-32-5)
  • 急性毒性:口服-小鼠 LD50: >; 300 毫克/公斤; 腹腔-小鼠 LD50: 150 毫克/公斤
  • 下游产品:2-苯基苄胺 --> 2-氯-5-硝基苯甲腈 --> 2-氰基-4-硝基苯胺
  • 方法一:由邻氯苯甲酸与尿素反应而得：将邻氯苯甲酸、氨基磺酸和尿素混合后加热至140℃左右熔融，在搅拌下剧烈反应，并放出大量气体，温度自动上升至220-230℃，反应2h。然后冷却至15℃以下，过滤，所得固体分别用3%氨水和水洗至中性，再经干燥而得成品。
  • 毒性分级:高毒
  • MSDS 信息:OCBN(873-32-5).msds
  • 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
  • 灭火剂:二氧化碳, 泡沫, 干粉

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
  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. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Environmental Standards - Chromatography
  5. Pesticides & Metabolites - Environmental Standards
  6. Metabolites - Pesticides & Metabolites
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. C - Alphabetic
  5. CH - C
  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. Hydrazines - 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
  6. C10 to C27

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