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Name |
Naphthalene-1,4-dicarboxaldehyde |
EINECS | N/A |
CAS No. | 38153-01-4 | Density | 1.254g/cm3 |
PSA | 34.14000 | LogP | 2.46480 |
Solubility | N/A | Melting Point |
121°C |
Formula | C12H8O2 | Boiling Point | 387.1 °C at 760 mmHg |
Molecular Weight | 184.194 | Flash Point | 145.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Napthalene 1,4 dicarboxaldehyde; |
Article Data | 6 |
The Naphthalene-1,4-dicarboxaldehyde, with CAS registry number 38153-01-4, belongs to the following product category: Naphthalene derivatives. It has the systematic name of naphthalene-1,4-dicarbaldehyde. And the chemical formula of this chemical is C12H8O2.
Physical properties of Naphthalene-1,4-dicarboxaldehyde: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 69.02; (6)ACD/BCF (pH 7.4): 69.02; (7)ACD/KOC (pH 5.5): 721.03; (8)ACD/KOC (pH 7.4): 721.03; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.713; (14)Molar Refractivity: 57.6 cm3; (15)Molar Volume: 146.8 cm3; (16)Polarizability: 22.83×10-24cm3; (17)Surface Tension: 55.6 dyne/cm; (18)Density: 1.254 g/cm3; (19)Flash Point: 145.1 °C; (20)Enthalpy of Vaporization: 63.61 kJ/mol; (21)Boiling Point: 387.1 °C at 760 mmHg; (22)Vapour Pressure: 3.38E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(C=O)c2ccccc12
(2)InChI: InChI=1/C12H8O2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-8H
(3)InChIKey: XUFLAVKRRLBIMV-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C12H8O2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-8H
(5)Std. InChIKey: XUFLAVKRRLBIMV-UHFFFAOYSA-N