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Cas Database |
| Name |
5-Chloro-1,3-benzodioxole-4-carboxylic acid |
EINECS | N/A |
| CAS No. | 379229-83-1 | Density | 1.603 g/cm3 |
| PSA | 55.76000 | LogP | 1.76690 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H5ClO4 | Boiling Point | 342.3 °C at 760 mmHg |
| Molecular Weight | 200.578 | Flash Point | 160.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,3-Benzodioxole-4-carboxylic acid, 5-chloro-; |
Article Data | 3 |
5-Chloro-1,3-benzodioxole-4-carboxylic acid Specification
The 5-Chloro-1,3-benzodioxole-4-carboxylic acid, with the CAS registry number 379229-83-1, is also known as 1,3-Benzodioxole-4-carboxylic acid, 5-chloro-. This chemical's molecular formula is C8H5ClO4 and molecular weight is 200.58. Its systematic name is called 5-chloro-1,3-benzodioxole-4-carboxylic acid.
Physical properties of 5-Chloro-1,3-benzodioxole-4-carboxylic acid: (1)ACD/LogP: 1.85; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.625; (10)Molar Refractivity: 44.23 cm3; (11)Molar Volume: 125 cm3; (12)Surface Tension: 69 dyne/cm; (13)Density: 1.603 g/cm3; (14)Flash Point: 160.8 °C; (15)Enthalpy of Vaporization: 61.85 kJ/mol; (16)Boiling Point: 342.3 °C at 760 mmHg; (17)Vapour Pressure: 2.92E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2OCOc2c1C(=O)O
(2)InChI: InChI=1/C8H5ClO4/c9-4-1-2-5-7(13-3-12-5)6(4)8(10)11/h1-2H,3H2,(H,10,11)
(3)InChIKey: FBHDXAHJCOXCOF-UHFFFAOYAC
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