2-Methoxy-6-fluorobenzyl cyanide supplier

Name
2-Methoxy-6-fluorobenzyl cyanide
EINECS
CAS No. 500912-18-5
Density 1.148 g/cm³
Solubility
Melting Point
Formula C₉H₈FNO
Boiling Point 239.2 °C at 760 mmHg
Molecular Weight 165.167
Flash Point 98.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2-Fluoro-6-methoxyphenyl)acetonitrile;2-Fluoro-6-methoxyphenylacetonitrile;2-Methoxy-6-Fluorobenzyl Cyanide;
PSA 33.02000
LogP 1.90038

2-Methoxy-6-fluorobenzyl cyanide Specification

The 2-Methoxy-6-fluorobenzyl cyanide, with the CAS registry number 500912-18-5, has the systematic name of (2-fluoro-6-methoxyphenyl)acetonitrile. It belongs to the product categries of Halid and Methoxy. And the molecular formula of this chemical is C₉H₈FNO. In addition, it should be stored in the dry and cool environment.

The physical properties of 2-Methoxy-6-fluorobenzyl cyanide are as following: (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)ACD/BCF (pH 5.5): 7.66; (6)ACD/BCF (pH 7.4): 7.66; (7)ACD/KOC (pH 5.5): 149.47; (8)ACD/KOC (pH 7.4): 149.47; (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: 98.5 °C; (20)Enthalpy of Vaporization: 47.61 kJ/mol; (21)Boiling Point: 239.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0406 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(OC)c1CC#N
(2)InChI: InChI=1/C9H8FNO/c1-12-9-4-2-3-8(10)7(9)5-6-11/h2-4H,5H2,1H3
(3)InChIKey: IHTMDGUTWAQZBU-UHFFFAOYAT

Product Name

2-Methoxy-6-fluorobenzyl cyanide

2-Methoxy-6-fluorobenzyl cyanide Specification

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