Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Bromo-4-hydroxynicotinonitrile |
EINECS | N/A |
CAS No. | 635731-97-4 | Density | 1.84 g/cm3 |
PSA | 56.91000 | LogP | 1.42138 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H3BrN2O | Boiling Point | 242.6 °C at 760 mmHg |
Molecular Weight | 199.007 | Flash Point | 100.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Bromo-4-oxo-1,4-dihydropyridine-3-carbonitrile; |
Article Data | 4 |
The 2-Bromo-4-hydroxynicotinonitrile has CAS registry number 635731-97-4. This chemical's molecular formula is C6H3BrN2O and molecular weight is 199.00482. What's more, its systematic name is 2-Bromo-4-oxo-1, 4-dihydropyridine-3-carbonitrile.
Physical properties about 2-Bromo-4-hydroxynicotinonitrile are: (1)ACD/LogP: -0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -2.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.49; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 44.1 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 38.58 cm3; (15)Molar Volume: 107.9 cm3; (16)Polarizability: 15.29×10-24 cm3; (17)Surface Tension: 62.9 dyne/cm; (18)Density: 1.84 g/cm3; (19)Flash Point: 100.5 °C; (20)Enthalpy of Vaporization: 47.96 kJ/mol; (21)Boiling Point: 242.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0337 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#CC=1C(=O)\C=C/NC=1Br
(2) InChI: InChI=1/C6H3BrN2O/c7-6-4(3-8)5(10)1-2-9-6/h1-2H,(H,9,10)
(3) InChIKey: PSCVYEBXCLQANK-UHFFFAOYAB