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

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Name

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

EINECS N/A
CAS No. 175204-08-7 Density 1.21 g/cm3
PSA 33.02000 LogP 3.79808
Solubility N/A Melting Point 93-95°C
Formula C14H10FNO Boiling Point 323 °C at 760 mmHg
Molecular Weight 227.238 Flash Point 149.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 175204-08-7 (2-FLUORO-6-(4-METHYLPHENOXY)BENZONITRILE) Hazard Symbols IrritantXi
Synonyms

2-Fluoro-6-(4-methylphenoxy)benzonitrile;

Article Data 2

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

This chemical is called Benzonitrile, 2-fluoro-6-(4-methylphenoxy)-, and its systematic name is 2-fluoro-6-(4-methylphenoxy)benzonitrile. With the molecular formula of C14H10FNO, its molecular weight is 227.23. The CAS registry number of this chemical is 175204-08-7.

Other characteristics of the Benzonitrile, 2-fluoro-6-(4-methylphenoxy)- can be summarised as followings: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.39; (4)ACD/LogD (pH 7.4): 4.39; (5)ACD/BCF (pH 5.5): 1276.42; (6)ACD/BCF (pH 7.4): 1276.42; (7)ACD/KOC (pH 5.5): 5819.29; (8)ACD/KOC (pH 7.4): 5819.29; (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: 1.582; (14)Molar Refractivity: 62.5 cm3; (15)Molar Volume: 187.1 cm3; (16)Polarizability: 24.77 ×10-24cm3; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 149.1 °C; (20)Enthalpy of Vaporization: 56.49 kJ/mol; (21)Boiling Point: 323 °C at 760 mmHg; (22)Vapour Pressure: 0.00027 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: Fc2cccc(Oc1ccc(cc1)C)c2C#N
2.InChI: InChI=1/C14H10FNO/c1-10-5-7-11(8-6-10)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
3.InChIKey: JLTWAYPSQIKWIL-UHFFFAOYAC

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