Benzonitrile,2-bromo-4-fluoro-6-methyl- supplier

Name
2-BROMO-4-FLUORO-6-METHYLBENZONITRILE
EINECS 200-589-5
CAS No. 916792-09-1
Article Data2
CAS DataBase
Density 1.59 g/cm³
Solubility
Melting Point
Formula C₈H₅BrFN
Boiling Point 283.7 °C at 760 mmHg
Molecular Weight 214.037
Flash Point 125.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzonitrile,2-broMo-4-fluoro-6-Methyl-
PSA 23.79000
LogP 2.76828

Benzonitrile,2-bromo-4-fluoro-6-methyl- Specification

The Benzonitrile,2-bromo-4-fluoro-6-methyl-, with CAS registry number 916792-09-1, has the systematic name of 2-bromo-4-fluoro-6-methyl-benzonitrile. Besides this, it is also called benzonitrile, 2-bromo-4-fluoro-6-methyl-. And the chemical formula of this chemical is C₈H₅BrFN.

Physical properties of Benzonitrile,2-bromo-4-fluoro-6-methyl-: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 23.79 Å²; (9)Index of Refraction: 1.566; (10)Molar Refractivity: 43.77 cm³; (11)Molar Volume: 134 cm³; (12)Polarizability: 17.35×10^-24cm³; (13)Surface Tension: 46.2 dyne/cm; (14)Enthalpy of Vaporization: 52.26 kJ/mol; (15)Vapour Pressure: 0.00312 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(cc(c1C#N)Br)F
(2)InChI: InChI=1/C8H5BrFN/c1-5-2-6(10)3-8(9)7(5)4-11/h2-3H,1H3
(3)InChIKey: JHKAGGIPLGOTCY-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H5BrFN/c1-5-2-6(10)3-8(9)7(5)4-11/h2-3H,1H3
(5)Std. InChIKey: JHKAGGIPLGOTCY-UHFFFAOYSA-N

Product Name

2-BROMO-4-FLUORO-6-METHYLBENZONITRILE

Benzonitrile,2-bromo-4-fluoro-6-methyl- Specification

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