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Name |
Pyridine, 2,4-dibromo-,1-oxide |
EINECS | N/A |
CAS No. | 117196-08-4 | Density | 2.15 g/cm3 |
PSA | 25.46000 | LogP | 2.64010 |
Solubility | N/A | Melting Point |
95℃ |
Formula | C5H3Br2NO | Boiling Point | 387.1 °C at 760 mmHg |
Molecular Weight | 252.893 | Flash Point | 187.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2, 4-Dibromopyridine 1-oxide; |
Article Data | 2 |
The Pyridine, 2, 4-dibromo-,1-oxide, with the CAS registry number of 117196-08-4, is also known as 2, 4-Dibromopyridine-1-oxide. This chemical's molecular formula is C5H3Br2NO and molecular weight is 252.89. What's more, its systematic name is called 2, 4-Dibromopyridine 1-oxide.
Physical properties about Pyridine, 2, 4-dibromo-,1-oxide are: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): 0.3; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 25.46 Å2; (9)Index of Refraction: 1.652; (10)Molar Refractivity: 42.95 cm3; (11)Molar Volume: 117.4 cm3; (12)Surface Tension: 54.7 dyne/cm; (13)Density: 2.15 g/cm3; (14)Flash Point: 187.9 °C; (15)Enthalpy of Vaporization: 61.12 kJ/mol; (16)Boiling Point: 387.1 °C at 760 mmHg; (17)Vapour Pressure: 7.55E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c[n+](c(cc1Br)Br)[O-]
(2) InChI: InChI=1/C5H3Br2NO/c6-4-1-2-8(9)5(7)3-4/h1-3H
(3) InChIKey: HLTHDBIDRZSXAV-UHFFFAOYAU