4-Fluoro-3-methoxyphenylacetonitrile supplier

Name
3-Methoxy-4-fluorobenzyl cyanide
EINECS
CAS No. 850565-37-6
Density 1.148 g/cm³
Solubility
Melting Point 49-50 °C
Formula C₉H₈FNO
Boiling Point 278.5 °C at 760 mmHg
Molecular Weight 165.167
Flash Point 122.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(4-fluoro-3-Methoxyphenyl)acetonitrile;4-Fluoro-3-Methoxybenzylcyanide
PSA 33.02000
LogP 1.90038

4-Fluoro-3-methoxyphenylacetonitrile Specification

The CAS register number of Benzeneacetonitrile,4-fluoro-3-methoxy- is 850565-37-6. The IUPAC name about this chemical is 2-(4-fluoro-3-methoxyphenyl)acetonitrile. The molecular formula about this chemical is C₉H₈FNO and the molecular weight is 165.167023.

Physical properties about Benzeneacetonitrile,4-fluoro-3-methoxy- are: (1)ACD/LogP: 1.37; (2)ACD/LogD (pH 5.5): 1.37; (3)ACD/LogD (pH 7.4): 1.37; (4)ACD/BCF (pH 5.5): 6.43; (5)ACD/BCF (pH 7.4): 6.43; (6)ACD/KOC (pH 5.5): 131.87; (7)ACD/KOC (pH 7.4): 131.87; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 33.02 Å²; (11)Index of Refraction: 1.501; (12)Molar Refractivity: 42.38 cm³; (13)Molar Volume: 143.8 cm³; (14)Polarizability: 16.8x10^-24cm³; (15)Surface Tension: 37.4 dyne/cm; (16)Density: 1.148 g/cm³; (17)Flash Point: 122.2 °C; (18)Enthalpy of Vaporization: 51.71 kJ/mol; (19)Boiling Point: 278.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00426 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1OC)CC#N
(2)InChI: InChI=1/C9H8FNO/c1-12-9-6-7(4-5-11)2-3-8(9)10/h2-3,6H,4H2,1H3
(3)InChIKey: IWBUXMKSIMCUIX-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H8FNO/c1-12-9-6-7(4-5-11)2-3-8(9)10/h2-3,6H,4H2,1H3
(5)Std. InChIKey: IWBUXMKSIMCUIX-UHFFFAOYSA-N

Product Name

3-Methoxy-4-fluorobenzyl cyanide

4-Fluoro-3-methoxyphenylacetonitrile Specification

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