3-Fluoro-2-methoxybenzonitrile supplier

Name
3-Fluoro-2-methoxybenzonitrile
EINECS
CAS No. 77801-22-0
Density 1.18 g/cm³
Solubility
Melting Point
Formula C₈H₆FNO
Boiling Point 252.4 °C at 760 mmHg
Molecular Weight 151.14
Flash Point 106.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Fluoro-2-methoxybenzonitrile;3-Fluoro-o-anisonitrile;
PSA 33.02000
LogP 1.70598

3-Fluoro-2-methoxybenzonitrile Specification

The 3-Fluoro-2-methoxybenzonitrile is an organic compound with the molecular formula C₈H₆FNO. Its CAS registry number is 77801-22-0. The IUPAC name of this chemical is called 3-Fluoro-2-methoxybenzonitrile. It's also known as 3-Fluoro-o-anisonitrile. What's more, the molecular weight of this chemical is 151.14.

Physical properties about 3-Fluoro-2-methoxybenzonitrile are: (1)ACD/LogP: 1.63; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.21; (6)ACD/BCF (pH 7.4): 10.21; (7)ACD/KOC (pH 5.5): 183.55; (8)ACD/KOC (pH 7.4): 183.55; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 37.79 cm³; (15)Molar Volume: 127.3 cm³; (16)Polarizability: 14.98×10^-24 cm³; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 106.5 °C; (20)Enthalpy of Vaporization: 48.98 kJ/mol; (21)Boiling Point: 252.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0194 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cccc(C#N)c1OC
(2) InChI: InChI=1/C8H6FNO/c1-11-8-6(5-10)3-2-4-7(8)9/h2-4H,1H3
(3) InChIKey: XSWPZUMXEKDICZ-UHFFFAOYAF

Product Name

3-Fluoro-2-methoxybenzonitrile

3-Fluoro-2-methoxybenzonitrile Specification

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