Benzeneacetic acid, α-​oxo- 苯酰甲酸

CAS 611-73-4 MFCD00002575

化学结构图

611-73-4
SMILES: O=C(O)C(=O)C1CCCCC1

化学属性

Mol. FormulaC8H6O3
Mol. Weight150.13
Boiling Point258.6°C at 760 mmHg
Melting Point60-69°C
Density1.38
TSCANo
Stabilitylight sensitive,Moisture sensitive
Flash Point147-151°C/12mm
Appearance 无色晶体。熔点66℃，沸点147.5℃（1.6kPa），在常压下蒸馏分解。能溶于水、酸、醚和热的四氯化碳。
Solubilitymethanol: 0.1 g/mL, clear
pH:A

别名和识别编码

Chemical NameBenzeneacetic acid, α-​oxo-
CAS Number611-73-4
Synonym Phenylglyoxylic acid {LY} Phenylglyoxylic acid {} {LY} Phenylglyoxylic acid {} {} {LY} Phenylglyoxylic acid {} {} {} {LY} Phenylglyoxylic acid {} {} {} {} {LY} Phenylglyoxylic acid {} {} {} {} {} {LY} Phenylglyoxylic acid {} {} {} {} {} {} {LY} Phenylglyoxylic acid {} {} {} {} {} {} {} {LY} Phenylglyoxylic acid {} {} {} {} {} {} {} {} {LY} Phenylglyoxylic acid {} {} {} {} {} {} {} {} {} {LY} Phenylglyoxylic acid {} {} {} {} {} {} {} {} {} {} {LY} Phenylglyoxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylglyoxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylglyoxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylglyoxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylglyoxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID87564072
EC Number210-278-7
Beilstein Registry Number606718
MDL NumberMFCD00002575
Reaxys-RN606718
Chemical Name Translation苯酰甲酸
Wiswesser Line NotationQVVR
LabNetwork Molecule IDLN00010275
Canonical SMILESO=C(O)C(C1=CC=CC=C1)=O
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分类

  • Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

产品应用

  • 用作医药中间体。

相关文献及参考

  • Beilstein:10,654
  • [1]. Capella KM, et al. Ethylbenzene and styrene exposure in the United States based on urinary mandelic acid and phenylglyoxylic acid: NHANES 2005-2006 and 2011-2012. Environ Res. 2019 Apr;171:101-110.

安全信息

GHS Symbol
WGK Germany3
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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
RTECSDA1480000
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
  • 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
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；
  • 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
Storage condition 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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#04110

其他信息

  • 上游原料:苯甲酰腈
  • Acros Organics:苯甲酰甲酸 Benzoylformic acid, 97%(611-73-4)
  • Alfa Aesar:苯甲酰甲酸,98+% Phenylglyoxylic acid, 98%(611-73-4)
  • TCI Shanghai:苯甲酰甲酸 Benzoylformic Acid,>;95.0%(GC)(T)(611-73-4)
  • 图谱信息:苯甲酰甲酸(611-73-4)核磁图( 1 HNMR) 苯甲酰甲酸(611-73-4)质谱(MS) 苯甲酰甲酸(611-73-4)红外图谱(IR1) 苯甲酰甲酸(611-73-4)核磁图( 13 CNMR) 苯甲酰甲酸(611-73-4)红外图谱(IR2)
  • Sigma Aldrich:611-73-4(sigmaaldrich)
  • 方法一:由苯甲酰氰用浓盐酸水解而得。
  • MOL 文件:611-73-4.mol
  • 用途一:精细化学品的中间体。
  • 在常压下蒸馏分解,能溶于水、酸、醚和热的四氯化碳。
  • MSDS 信息:Benzoylformic acid(611-73-4).msds
  • 海关编码:29183000
  • 下游产品:DL-扁桃酸 --> 苯甲酰甲酸甲酯 --> 环戊基扁桃酸甲酯 --> 2-苯基-4-喹啉羧酸 --> 1-(2H)-酞嗪酮 --> 4-羟基酞嗪-1-羧酸
  • 苯甲酰甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1129 苯甲酰甲酸 Benzoylformic Acid 25G 1140元 2014/06/02 B1129 苯甲酰甲酸 Benzoylformic Acid 5G 370元 2010/06/21 105760050 苯甲酰甲酸 Benzoylformic acid 97% 5 GR 375元

系列性分类

  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
  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. Aromatic acids
  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
  6. C7
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)