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Cas Database |
| Name |
4-Bromo-2,6-dimethylbenzonitrile |
EINECS | N/A |
| CAS No. | 5757-66-4 | Density | 1.446g/cm3 |
| PSA | 23.79000 | LogP | 2.93758 |
| Solubility | N/A | Melting Point |
71-72 °C |
| Formula | C9H8 Br N | Boiling Point | 279.783°C at 760 mmHg |
| Molecular Weight | 210.073 | Flash Point | 123.009°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Bromo-2,6-dimethylbenzonitrile |
Article Data | 14 |
4-Bromo-2,6-dimethylbenzonitrile Chemical Properties
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 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 .
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