Products Categories
CAS No.: | 886364-86-9 |
---|---|
Name: | 5-BROMO-4-METHYL-PYRIDINE-2-CARBONITRILE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H5BrN2 |
Molecular Weight: | 197.034 |
Synonyms: | 5-Bromo-2-cyano-4-methylpyridine;5-bromo-4-methyl-pyridine-2-carbonitrile; |
Density: | 1.613 g/cm3 |
Boiling Point: | 293.289 °C at 760 mmHg |
Flash Point: | 131.177 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-37/38-41 |
Safety: | 26-39 |
PSA: | 36.68000 |
LogP: | 2.02418 |
What can I do for you?
Get Best Price
The systematic name of this chemical is 5-Bromo-4-methylpyridine-2-carbonitrile. With the CAS registry number 886364-86-9, is also called 5-Bromo-2-cyano-4-methylpyridine. And the molecular formula of this chemical is C7H5BrN2.
The physical properties of 5-Bromo-4-methylpyridine-2-carbonitrile are as following: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.151; (4)ACD/LogD (pH 7.4): 2.151; (5)ACD/BCF (pH 5.5): 25.412; (6)ACD/BCF (pH 7.4): 25.412; (7)ACD/KOC (pH 5.5): 352.654; (8)ACD/KOC (pH 7.4): 352.654; (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: 41.463 cm3; (15)Molar Volume: 122.129 cm3; (16)Polarizability: 16.437×10-24cm3; (17)Surface Tension: 58.601 dyne/cm; (18)Density: 1.613 g/cm3; (19)Flash Point: 131.177 °C; (20)Enthalpy of Vaporization: 53.285 kJ/mol; (21)Boiling Point: 293.289 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(ncc1Br)C#N
(2)InChI: InChI=1/C7H5BrN2/c1-5-2-6(3-9)10-4-7(5)8/h2,4H,1H3
(3)InChIKey: JAQLBGDFALXUMV-UHFFFAOYAF