-
Name
1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
- EINECS
- CAS No. 5768-39-8
- Article Data27
- CAS DataBase
- Density 1.468 g/cm3
- Solubility
- Melting Point 224 °C
- Formula C8H6 O4
- Boiling Point 318.3 °C at 760 mmHg
- Molecular Weight 166.133
- Flash Point 136.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes 22
-
Molecular Structure
- Hazard Symbols Xn
- Synonyms Benzoicacid, 2,3-(methylenedioxy)- (7CI,8CI); 2,3-(Methylenedioxy)benzoic acid;4-Carboxy-1,3-benzodioxole; NSC 201536; o-Piperonylic acid
- PSA 55.76000
- LogP 1.11350
1,3-Benzodioxole-4-carboxylicacid Chemical Properties
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
1,3-Benzodioxole-4-carboxylicacid Safety Profile
Hazard Note: Harmful
1,3-Benzodioxole-4-carboxylicacid 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 .
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