Molecular Structure of 3-Bromo-2,4-dimethylpyridine (CAS No. 27063-93-0):
Systematic Name: 3-Bromo-2,4-dimethylpyridine
Synonyms: Pyridine, 3-bromo-2,4-dimethyl-
Molecular Formula: C7H8BrN
Molecular Weight: 186.05
CAS Registry Number: 27063-93-0
Index of Refraction: 1.547
Molar Refractivity: 41.68 cm3
Molar Volume: 131.3 cm3
Surface Tension: 38.4 dyne/cm
Density: 1.415 g/cm3
Flash Point: 80.1 °C
Enthalpy of Vaporization: 42.69 kJ/mol
Boiling Point: 208.8 °C at 760 mmHg
Vapour Pressure: 0.303 mmHg at 25°C
Structure Descriptors of 3-Bromo-2,4-dimethylpyridine (CAS No. 27063-93-0):
SMILES: Cc1ccnc(C)c1Br
InChI: InChI=1/C7H8BrN/c1-5-3-4-9-6(2)7(5)8/h3-4H,1-2H3
InChIKey: HWSUJPQZGWOXFZ-UHFFFAOYAA
Std. InChI: InChI=1S/C7H8BrN/c1-5-3-4-9-6(2)7(5)8/h3-4H,1-2H3
Std. InChIKey: HWSUJPQZGWOXFZ-UHFFFAOYSA-N
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