2,1-Benzisoxazole, 5-chloro-3-phenyl- 5-氯-3-苯基苯并[c]异唑

CAS 719-64-2 MFCD00014573

化学结构图

719-64-2
SMILES: Clc1ccc2noc(-c3ccccc3)c2c1

化学属性

Mol. FormulaC13H8ClNO
Mol. Weight229.66
Melting Point115-117 °C
TSCAYes
Density1.298
Boiling Point395.4±22.0 °C at 760 mmHg

别名和识别编码

Chemical Name5-Chloro-3-phenylbenzo[c]isoxazole
MDL NumberMFCD00014573
CAS Number719-64-2
Synonym 5-Chloro-3-phenylbenzo[c]isoxazole {LY} 5-Chloro-3-phenylbenzo[c]isoxazole {} {LY} 5-Chloro-3-phenylbenzo[c]isoxazole {} {} {LY} 5-Chloro-3-phenylbenzo[c]isoxazole {} {} {} {LY} 5-Chloro-3-phenylbenzo[c]isoxazole {} {} {} {} {LY} 5-Chloro-3-phenylbenzo[c]isoxazole {} {} {} {} {} {LY} 5-Chloro-3-phenylbenzo[c]isoxazole {} {} {} {} {} {} {LY} 5-Chloro-3-phenylbenzo[c]isoxazole {} {} {} {} {} {} {} {LY} 5-Chloro-3-phenylbenzo[c]isoxazole {} {} {} {} {} {} {} {} {LY} 5-Chloro-3-phenylbenzo[c]isoxazole {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-3-phenylbenzo[c]isoxazole {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-3-phenylbenzo[c]isoxazole {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-3-phenylbenzo[c]isoxazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-3-phenylbenzo[c]isoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-3-phenylbenzo[c]isoxazole {} {} {} {} {} {} {} {} {} {} {}
EC Number211-950-2
PubChem Substance ID347291
Alfabeta NameCHLOROPHENYLBENZISOXAZOLE 5321-----,
Reaxys-RN520281
Beilstein Registry Number27(5)7,47
Chemical Name Translation5-氯-3-苯基苯并[c]异唑
InChIKeyKRTKCZJFVDRDSS-UHFFFAOYSA-N
LabNetwork Molecule IDLN00182743
InChIInChI=1S/C13H8ClNO/c14-10-6-7-12-11(8-10)13(16-15-12)9-4-2-1-3-5-9/h1-8H
Canonical SMILESC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)Cl
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Isoxazoles

安全信息

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；
  • S37 Wear suitable gloves 戴适当手套；
  • 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
  • R36 Irritating to eyes 刺激眼睛
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 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
WGK Germany3
GHS Symbol
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H413 Maycauselonglastingharmfuleffectstoaquaticlife 可能对水生生物造成长期持续有害影响。
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Warnings IRRITANT
Hazard Codes Xn Xn,Xi
Precautionary statements
  • 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。
  • 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+P312
  • P301+P317
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P321 Specific treatment (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
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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

  • TCI Shanghai:3-苯基-5-氯苯并-2,1-异唑 5-Chloro-3-phenyl-2,1-benzisoxazole,>;96.0%(GC)(719-64-2)
  • 方法一:可用对硝基氯苯与苄基腈在乙醇中于氢氧化钠参与下缩合制得。
  • MOL 文件:719-64-2.mol
  • 上游原料:氰化苄 --> 4-硝基氯苯
  • Sigma Aldrich:719-64-2(sigmaaldrich)
  • 用途一:安定的中间体。
  • Hazard Note:Irritant
  • 下游产品:地莫西泮
  • Alfa Aesar:5-氯-3-苯基-2,1-苯并异噻唑,98+% 5-Chloro-3-phenyl-2,1-benzisoxazole, 98+%(719-64-2)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Halogenated Heterocycles 卤代杂环
  5. Isoxazoles - Halogenated Heterocycles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Halogenated Heterocycles 卤代杂环
  5. Isoxazoles - Halogenated Heterocycles

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