6-Chloro-2H-Benzo[B][1,4]Oxazin-3(4H)-One 6-氯-2H-1,4-苯并噁嗪-3(4H)-酮

CAS 7652-29-1 MFCD00174511

化学结构图

7652-29-1
SMILES: O=C1COc2ccc(Cl)cc2N1

化学属性

Mol. FormulaC8H6ClNO2
Mol. Weight183.59
Melting Point215-219 °C
Boiling Point363.0±42.0 °C at 760 mmHg

别名和识别编码

Chemical Name6-Chloro-2H-Benzo[B][1,4]Oxazin-3(4H)-One
CAS Number7652-29-1
Alfabeta NameCHLOROBENZOXAZINONE HH621434()------,
MDL NumberMFCD00174511
PubChem Substance ID309259
Chemical Name Translation6-氯-2H-1,4-苯并噁嗪-3(4H)-酮
Synonym 6-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one {LY} 6-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one {} {LY} 6-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {LY} 6-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {LY} 6-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {} {LY} 6-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {} {} {LY} 6-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {} {} {} {LY} 6-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {} {} {} {} {LY} 6-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {} {} {} {} {} {LY} 6-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {} {} {} {} {} {} {LY} 6-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {} {} {} {} {} {} {} {LY} 6-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Chloro-2H
LabNetwork Molecule IDLN00149007
InChIInChI=1S/C8H6ClNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)
Canonical SMILESO=C1COC2=CC=C(Cl)C=C2N1
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分类

  • {SNA} Benzoxazines, Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks
  • {KO} AminesSecondaryHeteroNH
  • Benzoxazines, Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks

安全信息

Warnings IRRITANT
WGK Germany2
GHS Symbol
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。
  • P305+P351+P338
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Hazard Codes Xn Xn,Xi
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
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；
Risk Statements
  • 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
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
2
Rotatable Bonds
0
LogP
8.705000000000001e-001

其他信息

  • MOL 文件:7652-29-1.mol
  • Sigma Aldrich:7652-29-1(sigmaaldrich)
  • Hazard Note:Irritant

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. Benzoxazines 苯恶嗪
  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. Benzoxazines - Halogenated Heterocycles

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