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886364-86-9

Basic Information
CAS No.: 886364-86-9
Name: 5-BROMO-4-METHYL-PYRIDINE-2-CARBONITRILE
Article Data: 2
Molecular Structure:
Molecular Structure of 886364-86-9 (5-BROMO-4-METHYL-PYRIDINE-2-CARBONITRILE)
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
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  • 5-bromo-4-methylpyridine-2-carbonitrile

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    5-bromo-4-methylpyridine-2-carbonitrile

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  • ISO 9001   National Research Platform CAS No.  886364-86-9

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  • 5-BROMO-4-METHYL-PYRIDINE-2-CARBONITRILE

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  • CAS:886364-86-9 5-bromo-4-methylpyridine-2-carbonitrile

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    886364-86-9

    CAS:886364-86-9 5-bromo-4-methylpyridine-2-carbonitrile

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Specification

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