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Cas Database |
| Name |
6-Methyl-2-oxo-2H-1-benzopyran-3-carboxylic acid |
EINECS | N/A |
| CAS No. | 10242-13-4 | Density | 1.421g/cm3 |
| PSA | 67.51000 | LogP | 1.79960 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H8 O4 | Boiling Point | 395.7°Cat760mmHg |
| Molecular Weight | 204.182 | Flash Point | 161.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-Carboxy-6-methylcoumarin |
Article Data | 27 |
6-Methyl-2-oxo-2H-1-benzopyran-3-carboxylic acid Chemical Properties
IUPAC Name: 6-methyl-2-oxochromene-3-carboxylic acid
Empirical Formula: C11H8O4
Molecular Weight: 204.1788g/mol
Structure of 6-Methyl-2-oxo-2H-1-benzopyran-3-carboxylic acid (CAS NO.10242-13-4):
.bmp)
Index of Refraction: 1.623
Molar Refractivity: 50.69 cm3
Molar Volume: 143.6 cm3
Polarizability: 20.09×10-24cm3
Surface Tension: 61.6 dyne/cm
Density: 1.421 g/cm3
Flash Point: 161.4 °C
Enthalpy of Vaporization: 68.12 kJ/mol
Boiling Point: 395.7 °C at 760 mmHg
Vapour Pressure: 5.67E-07 mmHg at 25°C
Classification Code:Agricultural Chemical, Experimental pesticide, Unspecified / Unclassified pesticide
Canonical SMILES: CC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)O
InChI: InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)5-8(10(12)13)11(14)15-9/h2-5H,1H3,(H,12,13)
InChIKey: FJICLQQBBFWGMZ-UHFFFAOYSA-N
6-Methyl-2-oxo-2H-1-benzopyran-3-carboxylic acid Toxicity Data With Reference
| 1. | orl-rat LDLo:75 mg/kg | NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),30. |
6-Methyl-2-oxo-2H-1-benzopyran-3-carboxylic acid Safety Profile
A poison by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
6-Methyl-2-oxo-2H-1-benzopyran-3-carboxylic acid Specification
6-Methyl-2-oxo-2H-1-benzopyran-3-carboxylic acid , its cas register number is 10242-13-4. It also can be called 5-18-08-00343 (Beilstein Handbook Reference) ; BRN 0172386 .
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