4-Methoxy-2-fluorobenzyl cyanide supplier

Name
4-Methoxy-2-fluorobenzyl cyanide
EINECS
CAS No. 749934-29-0
Density 1.148 g/cm³
Solubility
Melting Point
Formula C₉H₈FNO
Boiling Point 252.8 °C at 760 mmHg
Molecular Weight 165.167
Flash Point 106.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2-Fluoro-4-methoxyphenyl)acetonitrile;2-Fluoro-4-methoxybenzyl cyanide;
PSA 33.02000
LogP 1.90038

4-Methoxy-2-fluorobenzyl cyanide Specification

The 4-Methoxy-2-fluorobenzyl cyanide with CAS registry number of 749934-29-0 is also called 2-Fluoro-4-methoxybenzyl cyanide. It belongs to categories of Methoxy; Halide. Its systematic name is 2-(2-fluoro-4-methoxy-phenyl)acetonitrile.

Physical properties about this chemical are: (1) ACD/LogP: 1.47; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.47; (4) ACD/LogD (pH 7.4): 1.47; (5) #H bond acceptors: 2; (6) #H bond donors: 0; (7) #Freely Rotating Bonds: 2; (8) Polar Surface Area: 33.02 Å²; (9) Index of Refraction: 1.501; (10) Molar Refractivity: 42.38 cm³; (11) Molar Volume: 143.8 cm³; (12) Polarizability: 16.8×10^-24 cm³; (13) Surface Tension: 37.4 dyne/cm; (14) Density: 1.148 g/cm³; (15) Flash Point: 106.7 °C; (16) Enthalpy of Vaporization: 49.02 kJ/mol; (17) Boiling Point: 252.8 °C at 760 mmHg; (18) Vapour Pressure: 0.0189 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(OC)ccc1CC#N;
(2) InChI: InChI=1/C9H8FNO/c1-12-8-3-2-7(4-5-11)9(10)6-8/h2-3,6H,4H2,1H3;
(3) InChIKey: OKPZYRPNHFQVMZ-UHFFFAOYAK;
(4) Std. InChI: InChI=1S/C9H8FNO/c1-12-8-3-2-7(4-5-11)9(10)6-8/h2-3,6H,4H2,1H3;
(5) Std. InChIKey: OKPZYRPNHFQVMZ-UHFFFAOYSA-N

Product Name

4-Methoxy-2-fluorobenzyl cyanide

4-Methoxy-2-fluorobenzyl cyanide Specification

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