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-benzo
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


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