6-Methyl-2H-1,4-Benzoxazin-3(4H)-One 6-甲基-2H-1,4-苯并噁嗪-3(4H)-酮

CAS 39522-26-4 MFCD01321311

化学结构图

39522-26-4
SMILES: CC1=CC2NC(=O)COC=2C=C1

化学属性

Mol. FormulaC9H9NO2
Mol. Weight163.17
Melting Point207-209 °C(lit.)

别名和识别编码

Chemical Name6-Methyl-2H-1,4-Benzoxazin-3(4H)-One
CAS Number39522-26-4
Alfabeta NameMETHYLBENZOXAZINONE HH621434()------,
MDL NumberMFCD01321311
PubChem Substance ID24871132
Synonym 6-甲基-2H-1,4-苯并噁嗪-3(4H)-酮
Chemical Name Translation6-甲基-2H-1,4-苯并噁嗪-3(4H)-酮
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分类

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

安全信息

Warnings IRRITANT
WGK Germany3
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
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Hazard Codes Xi
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

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
8.197000000000001e-001

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. Benzoxazines 苯恶嗪

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