Molecular Structure of 4-Bromo-2,6-dimethylbenzonitrile (CAS NO.5757-66-4):
Systematic Name: 4-Bromo-2,6-dimethylbenzonitrile
SMILES: Brc1cc(c(C#N)c(c1)C)C
InChI: InChI=1/C9H8BrN/c1-6-3-8(10)4-7(2)9(6)5-11/h3-4H,1-2H3
InChIKey: LAYDFDMDUCVHBO-UHFFFAOYAN
Empirical Formula: C9H8BrN
Molecular Weight: 210.0705
Nominal Mass: 209
Average Mass: 210.0705
Monoisotopic Mass: 208.984004
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Index of Refraction: 1.579
Molar Refractivity: 48.287 cm3
Molar Volume: 145.305 cm3
Surface Tension: 47.085 dyne/cm
Density: 1.446 g/cm3
Flash Point: 123.009 °C
Enthalpy of Vaporization: 51.848 kJ/mol
Boiling Point: 279.783 °C at 760 mmHg
Vapour Pressure: 0.004 mmHg at 25 °C
Mol File: 5757-66-4.mol
4-Bromo-2,6-dimethylbenzonitrile (CAS NO.5757-66-4), its Synonyms are Benzonitrile,4-bromo-2,6-dimethyl- ; 4-Bromo-2,6-dimethylbenzenecarbonitrile .
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