4-Hydroxy-3-Nitrophenylacetic Acid 4-羟基-3-硝基苯乙酸

CAS 10463-20-4 MFCD00007122

化学结构图

10463-20-4
SMILES: [O-][N+](=O)C1C=C(CC(O)=O)C=CC=1O

化学属性

Mol. FormulaC8H7NO5
Mol. Weight197
Melting Point146-148
TSCAT

别名和识别编码

Chemical Name4-Hydroxy-3-Nitrophenylacetic Acid
CAS Number10463-20-4
Alfabeta NameHYDROXYNITROPHENYLACETICACID 243()----
MDL NumberMFCD00007122
Synonym 4-羟基-3-硝基苯乙酸 3-硝基-4-羟基苯乙酸 4-Hydroxy-3-nitrobenzeneacetic Acid
EC Number233-948-0
Beilstein Registry Number2696044
PubChem Substance ID135727252
Chemical Name Translation4-羟基-3-硝基苯乙酸
Reaxys-RN2696044
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分类

  • Aromatics
  • {KO} CarboxylicAcids
  • {KO} ArylOHs
  • {KO} Nitros
  • {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • Metabolites & Impurities

产品应用

  • A metabolite of Nitrotyrosine (N597000), which is excreted in the urine.

相关文献及参考

  • van der Vliet, A., et al.: J. Biol. Chem., 272, 7617

安全信息

Warnings IRRITANT
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；
  • S37 Wear suitable gloves 戴适当手套；
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
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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
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
WGK Germany3
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
Storage condition <0°C

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
5
Rotatable Bonds
2
H-bond Donors
2
LogP
1

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Organic Acids - Synthetic Reagents
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C8 - Carboxylic Acids