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5757-66-4

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Basic Information
CAS No.: 5757-66-4
Name: 4-bromo-2,6-dimethylbenzenecarbonitrile
Article Data: 14
Molecular Structure:
Molecular Structure of 5757-66-4 (4-bromo-2,6-dimethylbenzenecarbonitrile)
Formula: C9H8 Br N
Molecular Weight: 210.073
Synonyms: 4-Bromo-2,6-dimethylbenzonitrile
Density: 1.446g/cm3
Melting Point: 71-72 °C
Boiling Point: 279.783°C at 760 mmHg
Flash Point: 123.009°C
PSA: 23.79000
LogP: 2.93758
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Chemistry

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

Specification

 4-Bromo-2,6-dimethylbenzonitrile (CAS NO.5757-66-4), its Synonyms are Benzonitrile,4-bromo-2,6-dimethyl- ; 4-Bromo-2,6-dimethylbenzenecarbonitrile .