6-Nitro-2H-Benzo[B][1,4]Oxazin-3(4H)-One 6-硝基-2H-1,4-苯并恶嗪-3(4H)-酮

CAS 81721-87-1 MFCD03425744

化学结构图

81721-87-1
SMILES: [O-][N+](=O)C1=CC2NC(=O)COC=2C=C1

化学属性

Mol. FormulaC8H6N2O4
Mol. Weight194.15
Melting Point236.0 to 240.0 deg-C
TSCANo

别名和识别编码

Chemical Name6-Nitro-2H-Benzo[B][1,4]Oxazin-3(4H)-One
CAS Number81721-87-1
Alfabeta NameNITROBENZOXAZINONE HH621434()------,
MDL NumberMFCD03425744
Synonym 6-硝基-2H-1,4-苯并噁嗪-3(4H)-酮
PubChem Substance ID354334207
Chemical Name Translation6-硝基-2H-1,4-苯并恶嗪-3(4H)-酮
Reaxys-RN197742
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分类

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

相关文献及参考

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P302+P352+P332+P313+P362+P364
  • 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。
  • P305+P351+P338+P337+P313
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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
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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S37 Wear suitable gloves 戴适当手套；
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
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
Storage condition Hygroscopic

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
4
Rotatable Bonds
0
LogP
3.061000000000000e-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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