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7459-63-4

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Basic Information
CAS No.: 7459-63-4
Name: 6-Phenyl-1,3,5-triazine-2,4-diol
Article Data: 16
Molecular Structure:
Molecular Structure of 7459-63-4 (6-Phenyl-1,3,5-triazine-2,4-diol)
Formula: C9H7 N3 O2
Molecular Weight: 189.173
Synonyms: s-Triazine-2,4(1H,3H)-dione,6-phenyl- (7CI,8CI); s-Triazine-2,4-diol, 6-phenyl- (6CI);2,4-Dihydroxy-6-phenyl-s-triazine; 6-Phenyl-1,3,5-triazine-2,4(1H,3H)-dione
EINECS: 231-236-4
Density: 1.46 g/cm3
Boiling Point: 548.3 °C at 760 mmHg
Flash Point: 285.4 °C
Appearance: White Powder
PSA: 79.13000
LogP: 0.94980
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Chemistry

IUPAC Name: 6-Phenyl-1H-1,3,5-triazine-2,4-dione
Synonyms of 6-Phenyl-1,3,5-triazine-2,4-diol (CAS NO.7459-63-4): 6-Phenyl-1,3,5-triazine-2,4(1H,3H)-dione
CAS NO: 7459-63-4
Molecular Formula: C9H7N3O2
Molecular Weight: 189.1708
Molecular Structure:
EINECS: 231-236-4
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 52.98 Å2
Index of Refraction: 1.697
Molar Refractivity: 49.78 cm3
Molar Volume: 129.1 cm3
Surface Tension: 62.3 dyne/cm
Density: 1.46 g/cm3
Flash Point: 285.4 °C
Enthalpy of Vaporization: 85.88 kJ/mol
Boiling Point: 548.3 °C at 760 mmHg
Vapour Pressure: 1.24E-12 mmHg at 25°C
SMILES: O=C1NC(=N/C(=O)N1)\c2ccccc2
InChI: InChI=1/C9H7N3O2/c13-8-10-7(11-9(14)12-8)6-4-2-1-3-5-6/h1-5H,(H2,10,11,12,13,14)
InChIKey: KGKPZSCTAFFXBV-UHFFFAOYAN
Std. InChI: InChI=1S/C9H7N3O2/c13-8-10-7(11-9(14)12-8)6-4-2-1-3-5-6/h1-5H,(H2,10,11,12,13,14)
Std. InChIKey: KGKPZSCTAFFXBV-UHFFFAOYSA-N