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5768-39-8

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Basic Information
CAS No.: 5768-39-8
Name: 1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
Article Data: 27
Molecular Structure:
Molecular Structure of 5768-39-8 (1,3-BENZODIOXOLE-4-CARBOXYLIC ACID)
Formula: C8H6 O4
Molecular Weight: 166.133
Synonyms: Benzoicacid, 2,3-(methylenedioxy)- (7CI,8CI); 2,3-(Methylenedioxy)benzoic acid;4-Carboxy-1,3-benzodioxole; NSC 201536; o-Piperonylic acid
Density: 1.468 g/cm3
Melting Point: 224 °C
Boiling Point: 318.3 °C at 760 mmHg
Flash Point: 136.6 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 55.76000
LogP: 1.11350
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Chemistry

The Molecular Structure of 1,3-Benzodioxole-4-carboxylicacid (CAS NO.5768-39-8):

Empirical Formula: C8H6O4
Molecular Weight: 166.1308 
IUPAC Name: 1,3-benzodioxole-4-carboxylic acid
Product Categories: Acids and Derivatives;Heterocycles
Index of Refraction: 1.612
Molar Refractivity: 39.34 cm3
Molar Volume: 113.1 cm3
Surface Tension: 67.8 dyne/cm
Density: 1.468 g/cm3
Flash Point: 136.6 °C
Enthalpy of Vaporization: 59.1 kJ/mol
Boiling Point: 318.3 °C at 760 mmHg
Vapour Pressure: 0.000152 mmHg at 25°C 
XLogP: 1.4
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Exact Mass: 166.026609
MonoIsotopic Mass: 166.026609
Topological Polar Surface Area: 55.8
Heavy Atom Count: 12
Complexity: 192
Covalently-Bonded Unit Count: 1

Safety Profile

Hazard Note: Harmful

Specification

 1,3-Benzodioxole-4-carboxylicacid (CAS NO.5768-39-8) is also called as 1,3-Benzodioxole-4-carboxylic acid ; 2,3-Methylene dioxy benzoic acid ; Benzo[d][1,3]dioxole-4-carboxylic acid ; 1,3-Benzodioxole-4-carboxylic acid 97+% ; O-piperonylic acid .