2,4,5-trimethylbenzoic acid 2,4,5-三甲基苯甲酸

CAS 528-90-5 MFCD00075863

化学结构图

528-90-5
SMILES: CC1C=C(C(O)=O)C(C)=CC=1C

化学属性

Mol. FormulaC10H12O2
Mol. Weight164.20
Melting Point150-153 °C
Density1.422
Appearance 白色晶体或粉末。
Boiling Point303.7°C at 760 mmHg

别名和识别编码

Chemical Name2,4,5-trimethylbenzoic acid
CAS Number528-90-5
Alfabeta NameTRIMETHYLBENZOICACID 245-,,
MDL NumberMFCD00075863
PubChem Substance ID87559961
Reaxys-RN2084752
Beilstein Registry Number2084752
Synonym 2,4,5-Trimethylbenzoic acid {LY} 2,4,5-Trimethylbenzoic acid {} {LY} 2,4,5-Trimethylbenzoic acid {} {} {LY} 2,4,5-Trimethylbenzoic acid {} {} {} {LY} 2,4,5-Trimethylbenzoic acid {} {} {} {} {LY} 2,4,5-Trimethylbenzoic acid {} {} {} {} {} {LY} 2,4,5-Trimethylbenzoic acid {} {} {} {} {} {} {LY} 2,4,5-Trimethylbenzoic acid {} {} {} {} {} {} {} {LY} 2,4,5-Trimethylbenzoic acid {} {} {} {} {} {} {} {} {LY} 2,4,5-Trimethylbenzoic acid {} {} {} {} {} {} {} {} {} {LY} 2,4,5-Trimethylbenzoic acid {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 2,4,5-Trimethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,5-Trimethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,5-Trimethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,5-Trimethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4,5-Trimethyl
EC Number250-023-7
Chemical Name Translation2,4,5-三甲基苯甲酸
InChIKeyQENJZWZWAWWESF-UHFFFAOYSA-N
Wiswesser Line NotationQVR B1 D1 E1
LabNetwork Molecule IDLN00118657
Canonical SMILESCC1=CC(=C(C=C1C)C(=O)O)C
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分类

  • Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment
  • {SNA} Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.

安全信息

Warnings IRRITANT
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
RTECSDI0887000
Signal word Warning
GHS Symbol
Safety Statements
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
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 316 mg/kg
TOXIC EFFECTS :
   Behavioral - rigidity (including catalepsy)
   Behavioral - muscle contraction or spasticity
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 11,1020,1968

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

  • Sigma Aldrich:528-90-5(sigmaaldrich)
  • MOL 文件:528-90-5.mol
  • 图谱信息:2,4,5-三甲基苯甲酸(528-90-5)红外图谱(IR2) 2,4,5-三甲基苯甲酸(528-90-5)质谱(MS) 2,4,5-三甲基苯甲酸(528-90-5)红外图谱(IR1)
  • TCI Shanghai:2,4,5-三甲基苯甲酸 2,4,5-Trimethylbenzoic Acid,>;97.0%(GC)(T)(528-90-5)
  • 2,4,5-三甲基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T2469 2,4,5-三甲基苯甲酸 2,4,5-Trimethylbenzoic Acid 5G 1080元 2014/06/02 T2469 2,4,5-三甲基苯甲酸 2,4,5-Trimethylbenzoic Acid 25G 3800元
  • 用途一:用作有机合成中间体

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. C10 - Carboxylic Acids

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