Benzeneacetonitrile,2-fluoro-4-methyl- supplier

Name
Benzeneacetonitrile, 2-fluoro-4-methyl- (9CI)
EINECS
CAS No. 518070-26-3
Article Data1
CAS DataBase
Density 1.095 g/cm³
Solubility
Melting Point
Formula C₉H₈FN
Boiling Point 238.7 °C at 760 mmHg
Molecular Weight 149.168
Flash Point 96.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Fluoro-4-methylbenzeneacetonitrile;Benzeneacetonitrile, 2-fluoro-4-methyl- (9CI);
PSA 23.79000
LogP 2.20018

Benzeneacetonitrile,2-fluoro-4-methyl- Specification

The CAS register number of Benzeneacetonitrile,2-fluoro-4-methyl- is 518070-26-3. It also can be called as 2-Fluoro-4-methylbenzeneacetonitrile and the systematic name about this chemical is (2-fluoro-4-methylphenyl)acetonitrile. The molecular formula about this chemical is C₉H₈FN and the molecular weight is 149.1649232. It belongs to the following product categories which include Halide; Nitrile and so on.

Physical properties about Benzeneacetonitrile,2-fluoro-4-methyl- are: (1)ACD/LogP: 1.96; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 1.96; (4)ACD/BCF (pH 5.5): 18.2; (5)ACD/BCF (pH 7.4): 18.2; (6)ACD/KOC (pH 5.5): 277.76; (7)ACD/KOC (pH 7.4): 277.76; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.79 Å²; (11)Index of Refraction: 1.507; (12)Molar Refractivity: 40.53 cm³; (13)Molar Volume: 136.1 cm³; (14)Polarizability: 16.06x10^-24cm³; (15)Surface Tension: 37.5 dyne/cm; (16)Density: 1.095 g/cm³; (17)Flash Point: 96.1 °C; (18)Enthalpy of Vaporization: 47.56 kJ/mol; (19)Boiling Point: 238.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0418 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(ccc1CC#N)C
(2)InChI: InChI=1/C9H8FN/c1-7-2-3-8(4-5-11)9(10)6-7/h2-3,6H,4H2,1H3
(3)InChIKey: CYKIAFUFMNTJCA-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H8FN/c1-7-2-3-8(4-5-11)9(10)6-7/h2-3,6H,4H2,1H3
(5)Std. InChIKey: CYKIAFUFMNTJCA-UHFFFAOYSA-N

Product Name

Benzeneacetonitrile, 2-fluoro-4-methyl- (9CI)

Benzeneacetonitrile,2-fluoro-4-methyl- Specification

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