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
SMILES: O=C1COc2ccc(Cl)cc2N1
化学属性
| Mol. Formula | C8H6ClNO2 |
|---|---|
| Mol. Weight | 183.59 |
| Melting Point | 215-219 °C |
| Boiling Point | 363.0±42.0 °C at 760 mmHg |
别名和识别编码
| Chemical Name | 6-Chloro-2H-Benzo[B][1,4]Oxazin-3(4H)-One |
|---|---|
| CAS Number | 7652-29-1 |
| Alfabeta Name | CHLOROBENZOXAZINONE HH621434()------, |
| MDL Number | MFCD00174511 |
| PubChem Substance ID | 309259 |
| Chemical Name Translation | 6-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[b][1,4]oxazin-3(4H)- |
| LabNetwork Molecule ID | LN00149007 |
| InChI | InChI=1S/C8H6ClNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11) |
| Canonical SMILES | O=C1COC2=CC=C(Cl)C=C2N1 |
信息真实价格透明
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信息真实价格透明
资金保障
专业采购外包团队在线服务
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现货库存
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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
GHS Symbol
- 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
- 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
- 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；
- 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
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
