2,3,5,6-Tetramethylbenzoic acid 2,3,5,6-四甲基苯甲酸
CAS 2604-45-7 MFCD00013981
化学结构图
SMILES: Cc1cc(C)c(C)c(C(=O)O)c1C
化学属性
| Mol. Formula | C11H14O2 |
|---|---|
| Mol. Weight | 178.23 |
| Melting Point | 178-181 °C |
| Boiling Point | 310.0±11.0 °C at 760 mmHg |
别名和识别编码
| Chemical Name | 2,3,5,6-Tetramethylbenzoic acid |
|---|---|
| MDL Number | MFCD00013981 |
| PubChem Substance ID | 17452 |
| CAS Number | 2604-45-7 |
| EC Number | 220-015-8 |
| Synonym | 2,3,5,6-Tetramethylbenzoic acid {LY} 2,3,5,6-Tetramethylbenzoic acid {} {LY} 2,3,5,6-Tetramethylbenzoic acid {} {} {LY} 2,3,5,6-Tetramethylbenzoic acid {} {} {} {LY} 2,3,5,6-Tetramethylbenzoic acid {} {} {} {} {LY} 2,3,5,6-Tetramethylbenzoic acid {} {} {} {} {} {LY} 2,3,5,6-Tetramethylbenzoic acid {} {} {} {} {} {} {LY} 2,3,5,6-Tetramethylbenzoic acid {} {} {} {} {} {} {} {LY} 2,3,5,6-Tetramethylbenzoic acid {} {} {} {} {} {} {} {} {LY} 2,3,5,6-Tetramethylbenzoic acid {} {} {} {} {} {} {} {} {} {LY} 2,3,5,6-Tetramethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2,3,5,6-Tetramethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,5,6-Tetramethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,5,6-Tetramethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,5,6-Tetramethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,5,6-Tetramethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} |
| Chemical Name Translation | 2,3,5,6-四甲基苯甲酸 |
| InChIKey | STIDRZRESMTQBD-UHFFFAOYSA-N |
| Wiswesser Line Notation | QVR B1 C1 E1 F1 |
| Beilstein Registry Number | 2328778 |
| LabNetwork Molecule ID | LN00234285 |
| InChI | InChI=1S/C11H14O2/c1-6-5-7(2)9(4)10(8(6)3)11(12)13/h5H,1-4H3,(H,12,13) |
| Canonical SMILES | O=C(O)C=1C(=C(C=C(C1C)C)C)C |
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分类
- Building Blocks, C11 to C12, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment
- {SNA} Building Blocks, C11 to C12, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
相关文献及参考
- Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
- 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
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 750 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
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