4-Acetamidobenzoic Acid 4-乙酰氨基苯甲酸

CAS 556-08-1 MFCD00002534

化学结构图

556-08-1
SMILES: CC(=O)Nc1ccc(C(=O)O)cc1

化学属性

Mol. FormulaC9H9NO3
Mol. Weight179.17
Melting Point259-262°C
TSCAYes
Solubility<0.1 G/100 ML AT 21 ºC
Density1.326
Appearance 白色片状结晶。熔点256.5℃。溶于乙醇,难溶于水和乙醚。
Boiling Point439.6°C at 760 mmHg

别名和识别编码

Chemical Name4-Acetamidobenzoic Acid
CAS Number556-08-1
Synonym Acedoben {LY} Acedoben {} {LY} Acedoben {} {} {LY} Acedoben {} {} {} {LY} Acedoben {} {} {} {} {LY} Acedoben {} {} {} {} {} {LY} Acedoben {} {} {} {} {} {} {LY} Acedoben {} {} {} {} {} {} {} {LY} Acedoben {} {} {} {} {} {} {} {} {LY} Acedoben {} {} {} {} {} {} {} {} {} {LY} Acedoben {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acedoben {} {} {} {} {} {} {} {} {} {} {} {LY} Acedoben {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acedoben {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acedoben {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acedoben {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acedoben {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acedoben {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acedoben {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00002534
PubChem Substance ID19266
Beilstein Registry Number390602
EC Number209-114-7
Reaxys-RN390602
Chemical Name Translation4-乙酰氨基苯甲酸
LabNetwork Molecule IDLN00195781
InChIInChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
Canonical SMILESO=C(O)C1=CC=C(NC(C)=O)C=C1
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分类

  • Aromatics
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; amide; 1fragment
  • {SNA} Aromatic Amino Acids, Chemical Biology, Chemical Synthesis, Peptide Chemistry, Unnatural Amino Acid Derivatives
  • {SNA} Aromatic Amino Acids, Chemical Biology, Chemical Synthesis, Peptide Chemistry, Unnatural Amino Acids & Derivatives
  • Metabolites & Impurities

产品应用

  • Acedoben is the acetylated derivative of p-aminobenzoic acid (PABA). Acedoben is a metabolite of the anesthetic Benzocaine (B202970).

相关文献及参考

  • Short: III/35D2
  • Short: LC
  • Beilstein:14(3)1112
  • Song, D.-J. et al.: Biopharm. Drug Dispos., 20, 263 (1999); Hayton, W.L. et al.: Aquat. Toxicol., 36, 99 (1996);

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
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
Signal word Warning
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。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • 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
  • P332+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • 方法一:方法1:以对氨基苯甲酸为原料,经乙酰化而得。将对氨基苯甲酸溶于乙酸乙酯,搅拌下加入乙酐,温度升至70℃。然后冷却过滤,水洗二遍,再用乙醇结晶而得成品。方法2:以对甲苯胺为原料,经乙酰化、氧化而得。乙酰化仍用乙酐为原料,氧化用高锰酸钾,氧化温度为60-70℃。
  • 对乙酰氨基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0013 4-乙酰氨基苯甲酸 4-Acetamidobenzoic Acid 500G 2700元 2014/06/02 A0013 4-乙酰氨基苯甲酸 4-Acetamidobenzoic Acid 25G 299元 2010/06/21 158430250 对乙酰氨基苯甲酸 4-Acetamidobenzoic acid 99+% 25 GR 347元
  • MOL 文件:556-08-1.mol
  • 用途一:用于有机合成。
  • Alfa Aesar:4-乙酰胺基苯甲酸,98% 4-Acetamidobenzoic acid, 98%(556-08-1)
  • 上游原料:对氨基苯甲酸
  • TCI Shanghai:4-乙酰氨基苯甲酸 4-Acetamidobenzoic Acid,>;99.0%(T)(556-08-1)
  • MSDS 信息:Acetylated PABA(556-08-1).msds
  • 下游产品:4-乙酰胺基-3-硝基苯甲酸
  • Acros Organics:4-乙酰氨基苯甲酸 4-Acetamidobenzoic acid, 99+%(556-08-1)
  • Sigma Aldrich:556-08-1(sigmaaldrich)
  • 海关编码:29242995

系列性分类


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