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Benzonitrile,2-fluoro-6-(4-fluorophenoxy)-

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Name

Benzonitrile,2-fluoro-6-(4-fluorophenoxy)-

EINECS N/A
CAS No. 175204-07-6 Density 1.31 g/cm3
PSA 33.02000 LogP 3.62878
Solubility N/A Melting Point 73 °C
Formula C13H7F2NO Boiling Point 306.3 °C at 760mmHg
Molecular Weight 231.201 Flash Point 139 °C
Transport Information N/A Appearance N/A
Safety 22-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 175204-07-6 (2-FLUORO-6-(4-FLUOROPHENOXY)BENZONITRILE) Hazard Symbols IrritantXi
Synonyms

2-fluoro-6-(4-fluorophenoxy)benzonitrile;

Article Data 3

Benzonitrile,2-fluoro-6-(4-fluorophenoxy)- Specification

The CAS registry number of Benzonitrile,2-fluoro-6-(4-fluorophenoxy)- is 175204-07-6. This chemical's molecular formula is C13H7F2NO and molecular weight is 231.2. What's more, its systematic name is called 2-Fluoro-6-(4-fluorophenoxy)benzonitrile.

Physical properties about Benzonitrile,2-fluoro-6-(4-fluorophenoxy)- are: (1)ACD/LogP: 4.22; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.22; (4)ACD/LogD (pH 7.4): 4.22; (5)ACD/BCF (pH 5.5): 944.06; (6)ACD/BCF (pH 7.4): 944.06; (7)ACD/KOC (pH 5.5): 4689.27; (8)ACD/KOC (pH 7.4): 4689.27; (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: 1.573; (14)Molar Refractivity: 57.99 cm3; (15)Molar Volume: 175.9 cm3; (16)Polarizability: 22.99×10-24 cm3; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 139 °C; (20)Enthalpy of Vaporization: 54.68 kJ/mol; (21)Boiling Point: 306.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000779 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is rritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. It is also harmful by inhalation, in contact with skin and if swallowed. What's more, you should not breathe dust and you should wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc2ccc(Oc1cccc(F)c1C#N)cc2
(2) InChI: InChI=1/C13H7F2NO/c14-9-4-6-10(7-5-9)17-13-3-1-2-12(15)11(13)8-16/h1-7H
(3) InChIKey: NOPNZSQHYZPSSX-UHFFFAOYAV

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