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CAS No.: | 62150-45-2 |
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Name: | 4-BROMO-PYRIDINE-2-CARBONITRILE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H3BrN2 |
Molecular Weight: | 183.007 |
Synonyms: | 4-Bromo-2-cyanopyridine;4-Bromo-2-pyridinecarbonitrile;4-Bromopicolinonitrile; |
EINECS: | -0 |
Density: | 1.726 g/cm3 |
Melting Point: | 82-84 °C |
Boiling Point: | 265.312 °C at 760 mmHg |
Flash Point: | 114.257 °C |
Appearance: | off-solid |
PSA: | 36.68000 |
LogP: | 1.71578 |
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The 4-Bromopyridine-2-carbonitrile, with the CAS registry number 62150-45-2, is also known as 4-Bromopicolinonitrile. It belongs to the product categories of Pharmacetical; Heterocyclic Compounds; Bases & Related Reagents; Heterocycles; Nucleotides. This chemical's molecular formula is C6H3BrN2 and molecular weight is 183.01. What's more, its IUPAC name is called 4-Bromo-2-pyridinecarbonitrile. It can be used as a useful synthetic intermediate.
Physical properties about 4-Bromopyridine-2-carbonitrile are: (1)ACD/LogP: 1.04±0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.61; (6)ACD/BCF (pH 7.4): 3.61; (7)ACD/KOC (pH 5.5): 87.30; (8)ACD/KOC (pH 7.4): 87.30; (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: 1.612; (14)Molar Refractivity: 36.8±0.4 cm3; (15)Molar Volume: 106.0±5.0 cm3; (16)Polarizability: 14.6±0.5×10-24cm3; (17)Surface Tension: 63.8±5.0 dyne/cm; (18)Density: 1.7±0.1 g/cm3; (19)Flash Point: 114.3±21.8 °C; (20)Enthalpy of Vaporization: 50.3±3.0 kJ/mol; (21)Boiling Point: 265.3±20.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.5 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cnc(cc1Br)C#N
(2) InChI: InChI=1S/C6H3BrN2/c7-5-1-2-9-6(3-5)4-8/h1-3H
(3) InChIKey: CZXDCTUSFIKLIJ-UHFFFAOYSA-N