5-Methoxy-2-fluorobenzyl cyanide supplier

Name
5-Methoxy-2-fluorobenzyl cyanide
EINECS
CAS No. 672931-28-1
Article Data3
CAS DataBase
Density 1.148 g/cm³
Solubility
Melting Point
Formula C₉H₈FNO
Boiling Point 278.7 °C at 760 mmHg
Molecular Weight 165.167
Flash Point 122.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2-Fluoro-5-methoxyphenyl)acetonitrile;
PSA
LogP

5-Methoxy-2-fluorobenzyl cyanide Specification

The 5-Methoxy-2-fluorobenzyl cyanide, with the CAS registry number 672931-28-1, has the systematic name of (2-fluoro-5-methoxyphenyl)acetonitrile. It belongs to the product categories of Methoxy and Halide. And the molecular formula of this chemical is C₉H₈FNO.

The physical properties of 5-Methoxy-2-fluorobenzyl cyanide are as following: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 154.15; (8)ACD/KOC (pH 7.4): 154.15; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 42.38 cm³; (15)Molar Volume: 143.8 cm³; (16)Polarizability: 16.8×10^-24cm³; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.148 g/cm³; (19)Flash Point: 122.3 °C; (20)Enthalpy of Vaporization: 51.73 kJ/mol; (21)Boiling Point: 278.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00421 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(OC)cc1CC#N
(2)InChI: InChI=1/C9H8FNO/c1-12-8-2-3-9(10)7(6-8)4-5-11/h2-3,6H,4H2,1H3
(3)InChIKey: QSPYWCDXOCAMGL-UHFFFAOYAT

Product Name

5-Methoxy-2-fluorobenzyl cyanide

5-Methoxy-2-fluorobenzyl cyanide Specification

Related Products

Hot Products