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

Name
2-FLUORO-6-(4-METHYLPHENOXY)BENZONITRILE
EINECS
CAS No. 175204-08-7
Article Data2
CAS DataBase
Density 1.21 g/cm³
Solubility
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
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Fluoro-6-(4-methylphenoxy)benzonitrile;
PSA 33.02000
LogP 3.79808

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

Product Name

2-FLUORO-6-(4-METHYLPHENOXY)BENZONITRILE

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

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