3-Chlorobenzonitrile 3-氯苯腈

CAS 766-84-7 MFCD00001798

化学结构图

766-84-7
SMILES: N#CC1C=CC=C(Cl)C=1

化学属性

Mol. FormulaC7H4ClN
Mol. Weight137.57
Density1.14
Flash Point97°(206°F)
TSCANo
Melting Point38-42°C
Boiling Point203.4°C at 760 mmHg
Solubility不溶
Appearance 白色结晶体。熔点40-42℃。

别名和识别编码

Chemical Name3-Chlorobenzonitrile
Synonym 3-Chlorobenzonitrile {LY} 3-Chlorobenzonitrile {} {LY} 3-Chlorobenzonitrile {} {} {LY} 3-Chlorobenzonitrile {} {} {} {LY} 3-Chlorobenzonitrile {} {} {} {} {LY} 3-Chlorobenzonitrile {} {} {} {} {} {LY} 3-Chlorobenzonitrile {} {} {} {} {} {} {LY} 3-Chlorobenzonitrile {} {} {} {} {} {} {} {LY} 3-Chlorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobenzonitrile {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobenzonitrile {} {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chlorobenzonitrile {} {} {} {} {} {} {} {} {} {} {}
CAS Number766-84-7
EC Number212-172-6
Beilstein Registry Number9(2)225
MDL NumberMFCD00001798
PubChem Substance ID87566131
Chemical Name Translation3-氯苯腈
Reaxys-RN1906694
InChIKeyWBUOVKBZJOIOAE-UHFFFAOYSA-N
LabNetwork Molecule IDLN00225870
Canonical SMILESN#CC1=CC=CC(Cl)=C1
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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/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volume

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
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
  • R52/53
Precautionary statements
  • 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。
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P302+P352+P312+P362+P364
  • P305+P351+P338+P337+P313
  • P301+P312+P330
RTECSDI2600000
Packing GroupIII
UN Number 3439 UN3439
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Hazard Codes Xn Xn,Xi
Hazard statements
  • H302+H312
Hazard Class6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 800 mg/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 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

  • 3-氯苯腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 C1100 3-氯苄腈 3-Chlorobenzonitrile 500G 8040元 2011/04/16 C1100 3-氯苄腈 3-Chlorobenzonitrile 25G 971元 2010/06/21 108680500 3-氯苯腈 3-Chlorobenzonitrile 99% 50 GR 1673元
  • MSDS 信息:3-Chlorobenzonitrile(766-84-7).msds
  • Acros Organics:3-氯苯甲腈 3-Chlorobenzonitrile, 99%(766-84-7)
  • 用途一:用作医药、农药、染料中间体
  • 3-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 C1100 3-氯苄腈 3-Chlorobenzonitrile 25G 695元 2011/04/16 C1100 3-氯苄腈 3-Chlorobenzonitrile 500G 8040元 2010/06/21 108680500 3-氯苯腈 3-Chlorobenzonitrile 99% 50 GR 1673元
  • TCI Shanghai:3-氯苄腈 3-Chlorobenzonitrile,>;98.0%(GC)(766-84-7)
  • Sigma Aldrich:766-84-7(sigmaaldrich)
  • 海关编码:29269095
  • Hazard Note:Irritant
  • Alfa Aesar:3-氯苯甲腈,99% 3-Chlorobenzonitrile, 99%(766-84-7)
  • MOL 文件:766-84-7.mol
  • 图谱信息:3-氯苯腈(766-84-7)红外图谱(IR1) 3-氯苯腈(766-84-7)核磁图( 1 HNMR) 3-氯苯腈(766-84-7)质谱(MS) 3-氯苯腈(766-84-7)红外图谱(IR2) 3-氯苯腈(766-84-7)Raman光谱 3-氯苯腈(766-84-7)核磁图( 13 CNMR)
  • 下游产品:3-氯苄胺 --> 安非他酮

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
  6. C10 to C27

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