6-(Chloroacetyl)-2H-1,4-Benzoxazin-3(4H)-One 6-(氯乙酰基)-2H-1,4-苯并噁嗪-3(4H)-酮

CAS 26518-76-3 MFCD01321312

化学结构图

26518-76-3
SMILES: O=C(CCl)C1=CC2NC(=O)COC=2C=C1

化学属性

Mol. FormulaC10H8ClNO3
Mol. Weight225.63
Melting Point228.0 to 232.0 deg-C

别名和识别编码

Chemical Name6-(Chloroacetyl)-2H-1,4-Benzoxazin-3(4H)-One
CAS Number26518-76-3
Alfabeta NameCHLOROACETYLBENZOXAZINONE HH6221434(())-------,
MDL NumberMFCD01321312
PubChem Substance ID253660903
Synonym 6-(氯乙酰基)-2H-1,4-苯并噁嗪-3(4H)-酮
Chemical Name Translation6-(氯乙酰基)-2H-1,4-苯并噁嗪-3(4H)-酮
Reaxys-RN989790
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分类

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

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P305+P351+P338+P337+P313
  • 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
  • P302+P352+P332+P313+P362+P364
Signal word Warning
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
Hazard Codes Xi
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；
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
3
Rotatable Bonds
2
LogP
2.521000000000000e-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
  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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