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CAS No.: | 518070-26-3 |
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Name: | Benzeneacetonitrile, 2-fluoro-4-methyl- (9CI) |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C9H8FN |
Molecular Weight: | 149.168 |
Synonyms: | 2-Fluoro-4-methylbenzeneacetonitrile;Benzeneacetonitrile, 2-fluoro-4-methyl- (9CI); |
Density: | 1.095 g/cm3 |
Boiling Point: | 238.7 °C at 760 mmHg |
Flash Point: | 96.1 °C |
PSA: | 23.79000 |
LogP: | 2.20018 |
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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