Benzonitrile, 2-chloro-4-fluoro-3-methyl- supplier

Name
2-chloro-4-fluoro-3-methylbenzonitrile
EINECS
CAS No. 796600-15-2
Article Data7
CAS DataBase
Density 1.283 g/cm³
Solubility
Melting Point
Formula C₈H₅ClFN
Boiling Point 260.751 °C at 760 mmHg
Molecular Weight 169.586
Flash Point 111.498 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-4-fluoro-3-methylbenzonitrile;
PSA 23.79000
LogP 2.65918

Benzonitrile, 2-chloro-4-fluoro-3-methyl- Specification

The Benzonitrile, 2-chloro-4-fluoro-3-methyl- is an organic compound with the formula C₈H₅ClFN. The IUPAC name of this chemical is 2-Chloro-4-fluoro-3-methylbenzonitrile. Its CAS registry number is 874821-50-8. In addition, the molecular weight is 169.585.

Physical properties about Benzonitrile, 2-chloro-4-fluoro-3-methyl- are: (1)ACD/LogP: 2.62; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.618; (4)ACD/LogD (pH 7.4): 2.618; (5)ACD/BCF (pH 5.5): 57.462; (6)ACD/BCF (pH 7.4): 57.462; (7)ACD/KOC (pH 5.5): 632.382; (8)ACD/KOC (pH 7.4): 632.382; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 40.883 cm³; (15)Molar Volume: 132.199 cm³; (16)Polarizability: 16.207×10^-24 cm³; (17)Surface Tension: 41.621 dyne/cm; (18)Density: 1.283 g/cm³; (19)Flash Point: 111.498 °C; (20)Enthalpy of Vaporization: 49.846 kJ/mol; (21)Boiling Point: 260.751 °C at 760 mmHg; (22)Vapour Pressure: 0.012 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(ccc(c1Cl)C#N)F
(2) InChI: InChI=1/C8H5ClFN/c1-5-7(10)3-2-6(4-11)8(5)9/h2-3H,1H3
(3) InChIKey: IOKBJSAKTZEMBR-UHFFFAOYAD

Product Name

2-chloro-4-fluoro-3-methylbenzonitrile

Benzonitrile, 2-chloro-4-fluoro-3-methyl- Specification

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