2-Acetylbenzoic acid 2-乙酰苯甲酸

CAS 577-56-0 MFCD00002475

化学结构图

577-56-0
SMILES: CC(=O)c1ccccc1C(=O)O

化学属性

Mol. FormulaC9H8O3
Mol. Weight164.16
Melting Point115-117°C
Density1.351
TSCANo
Boiling Point251.61 °C at 760 mmHg

别名和识别编码

Chemical Name2-Acetylbenzoic Acid
CAS Number577-56-0
Synonym 2-Acetylbenzoic acid {LY} 2-Acetylbenzoic acid {} {LY} 2-Acetylbenzoic acid {} {} {LY} 2-Acetylbenzoic acid {} {} {} {LY} 2-Acetylbenzoic acid {} {} {} {} {} {} {} {} {LY} 2-Acetylbenzoic acid {} {} {} {} {} {LY} 2-Acetylbenzoic acid {} {} {} {} {} {} {LY} 2-Acetylbenzoic acid {} {} {} {} {} {} {} {LY} 2-Acetylbenzoic acid {} {} {} {} {} {} {} {} {LY} 2-Acetylbenzoic acid {} {} {} {} {} {} {} {} {} {LY} 2-Acetylbenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetylbenzoic acid {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00002475
PubChem Substance ID68474
Beilstein Registry Number1210557
EC Number209-413-2
Reaxys-RN1210557
Alfabeta NameACETYLBENZOICACID 2-
Chemical Name Translation2-乙酰苯甲酸
InChIKeyQDAWXRKTSATEOP-UHFFFAOYSA-N
LabNetwork Molecule IDLN00181509
InChIInChI=1S/C9H8O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3,(H,11,12)
Canonical SMILESO=C(C1=C(C(C)=O)C=CC=C1)O
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; ketone; 1fragment
  • Building Blocks, C9, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Building Blocks, C9, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

产品应用

  • A common component of hair dyes.

相关文献及参考

  • Acharya, C., et al.: Mol. Pharm., 5, 818 (2008),
  • Short: EINECS
  • Short: III/10a
  • Beilstein:10(3)102
  • Amborabe, B., et al.: Plant Physiol. Biochem., 40, 1051 (2002),
  • Exists in equilibrium with 3-hydroxy-3-methylphthalide, precursor of 3-methylenephthalidyl (MPID) derivatives of amino acids. Deprotection can be effected with hydrazine hydrate: Synthesis, 43 (1977).

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
GHS Symbol
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
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。
  • P264+P265
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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
Warnings IRRITANT
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 上游原料:盐酸 --> 苯 --> 吡啶 --> 苯酐 --> 丙二酸
  • 下游产品:荧光胺 --> 2-((E)-2-羟基-3-苯基丙烯酸基)苯甲酸 --> (E)-3-苯亚甲基-3H-异苯并吡喃-1,4-二酮
  • 图谱信息:2-乙酰苯甲酸(577-56-0)红外图谱(IR2) 2-乙酰苯甲酸(577-56-0)Raman光谱 2-乙酰苯甲酸(577-56-0)质谱(MS) 2-乙酰苯甲酸(577-56-0)红外图谱(IR1)
  • TCI Shanghai:2-乙酰苯羧酸 2-Acetylbenzoic Acid,>;97.0%(T)(577-56-0)
  • 海关编码:29183000
  • Sigma Aldrich:577-56-0(sigmaaldrich)
  • MSDS 信息:Acetophenone-2'-carboxylic acid(577-56-0).msds
  • Acros Organics:2-乙酰苯甲酸 2-Acetylbenzoic acid, 99%(577-56-0)
  • MOL 文件:577-56-0.mol
  • 2-乙酰苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A1075 2-乙酰苯甲酸 2-Acetylbenzoic Acid 25G 1110元 2014/06/02 A1075 2-乙酰苯甲酸 2-Acetylbenzoic Acid 5G 377元 2010/06/21 102470050 2-乙酰苯甲酸 2-Acetylbenzoic acid 99% 5 GR 307元
  • Alfa Aesar:2-乙酰基苯甲酸,98+% 2-Acetylbenzoic acid, 98+%(577-56-0)

系列性分类


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