5-Chloro-1,3-benzodioxole-4-carboxylic acid supplier

Name
5-Chloro-1,3-benzodioxole-4-carboxylic acid
EINECS
CAS No. 379229-83-1
Article Data3
CAS DataBase
Density 1.603 g/cm³
Solubility
Melting Point
Formula C₈H₅ClO₄
Boiling Point 342.3 °C at 760 mmHg
Molecular Weight 200.578
Flash Point 160.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Benzodioxole-4-carboxylic acid, 5-chloro-;
PSA 55.76000
LogP 1.76690

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

Product Name

5-Chloro-1,3-benzodioxole-4-carboxylic acid

5-Chloro-1,3-benzodioxole-4-carboxylic acid Specification

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