Basic Information | Post buying leads | Suppliers |
Name |
2-Bromo-5-cyano-3-picoline |
EINECS | N/A |
CAS No. | 374633-37-1 | Density | 1.61 g/cm3 |
PSA | 36.68000 | LogP | 2.02418 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H5BrN2 | Boiling Point | 291.5 °C at 760 mmHg |
Molecular Weight | 197.034 | Flash Point | 130.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Bromo-5-methylnicotinonitrile;3-pyridinecarbonitrile, 6-bromo-5-methyl-;6-Bromo-5-methylnicotinonitrile; |
The 3-Pyridinecarbonitrile,6-bromo-5-methyl-, with the CAS registry number 374633-37-1, has the systematic name of 6-Bromo-5-methylnicotinonitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H5BrN2.
The characteristics of 3-Pyridinecarbonitrile,6-bromo-5-methyl- are as followings: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.77; (6)ACD/BCF (pH 7.4): 12.77; (7)ACD/KOC (pH 5.5): 215.54; (8)ACD/KOC (pH 7.4): 215.54; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 41.46 cm3; (15)Molar Volume: 122.1 cm3; (16)Polarizability: 16.43×10-24cm3; (17)Surface Tension: 58.6 dyne/cm; (18)Density: 1.61 g/cm3; (19)Flash Point: 130.1 °C; (20)Enthalpy of Vaporization: 53.1 kJ/mol; (21)Boiling Point: 291.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00194 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cc(cnc1Br)C#N
(2)InChI: InChI=1/C7H5BrN2/c1-5-2-6(3-9)4-10-7(5)8/h2,4H,1H3
(3)InChIKey: JECOSEMUVCECAL-UHFFFAOYAE