Basic information
- Name:
Naphthalenedicarboxylic anhydride
- CAS No.:
34314-32-4
- Molecular Structure:
- Formula:
- C12H6O3
- Molecular Weight:
- 198.17
- Synonyms:
- Naphthalenedicarboxylicanhydride (8CI);Naphthalenedicarboxylicacid, cyclic anhydride;1H,3H-Benzo[de]isochromene-1,3-dione;1,8-Naphthalenedicarboxylic acid anhydride;1,8-Naphthoic anhydride;
- Density:
- 1.449 g/cm3
- Boiling Point:
- 407.5 °C at 760 mmHg
- Flash Point:
- 206.8 °C
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Specification
The Naphthalenedicarboxylic anhydride, with the CAS registry number 34314-32-4, is also known as 1,8-Naphthoic anhydride. This chemical's molecular formula is C12H6O3 and molecular weight is 198.17. What's more, its systematic name is 1H,3H-benzo[de]isochromene-1,3-dione.
Physical properties of Naphthalenedicarboxylic anhydride are: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/BCF (pH 5.5): 12.67; (5)ACD/KOC (pH 5.5): 214.3; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 43.37 Å2; (10)Index of Refraction: 1.712; (11)Molar Refractivity: 53.52 cm3; (12)Molar Volume: 136.6 cm3; (13)Surface Tension: 64.9 dyne/cm; (14)Density: 1.449 g/cm3; (15)Flash Point: 206.8 °C; (16)Enthalpy of Vaporization: 65.94 kJ/mol; (17)Boiling Point: 407.5 °C at 760 mmHg; (18)Vapour Pressure: 7.51E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C3C(=C1)C(=O)OC(=O)C3=CC=C2
(2)InChI: InChI=1S/C12H6O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-6H
(3)InChIKey: GRSMWKLPSNHDHA-UHFFFAOYSA-N