Products Categories
CAS No.: | 148901-52-4 |
---|---|
Name: | 2-FLUORO-6-[4-(METHYLTHIO)PHENOXY]BENZONITRILE |
Molecular Structure: | |
Formula: | C14H10FNOS |
Molecular Weight: | 259.3 |
Synonyms: | 2-FLUORO-6-[4-(METHYLTHIO)PHENOXY]BENZONITRILE;BUTTPARK 94\04-90;Fluoromethylthiophenoxybenzonitrile;2-Fluoro-6-[4-(methylsulphanyl)phenoxy]benzonitrile |
Density: | 1.28 g/cm3 |
Melting Point: | 68 °C |
Boiling Point: | 372.2 °C at 760mmHg |
Flash Point: | 178.9 °C |
Hazard Symbols: | R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system |
Risk Codes: | 20/21/22 |
Safety: | 23-36/37/39 |
PSA: | 58.32000 |
LogP: | 4.21158 |
What can I do for you?
Get Best Price
The CAS registry number of Benzonitrile,2-fluoro-6-[4-(methylthio)phenoxy]- is 148901-52-4. This chemical's molecular formula is C14H10FNOS and molecular weight is 259.3. What's more, its systematic name is called 2-Fluoro-6-[4-(methylsulfanyl)phenoxy]benzonitrile.
Physical properties about Benzonitrile,2-fluoro-6-[4-(methylthio)phenoxy]- are: (1)ACD/LogP: 4.44; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.44; (4)ACD/LogD (pH 7.4): 4.44; (5)ACD/BCF (pH 5.5): 1400.39; (6)ACD/BCF (pH 7.4): 1400.39; (7)ACD/KOC (pH 5.5): 6218.45; (8)ACD/KOC (pH 7.4): 6218.45; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 58.32 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 70.51 cm3; (15)Molar Volume: 201 cm3; (16)Polarizability: 27.95×10-24 cm3; (17)Surface Tension: 53.3 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 178.9 °C; (20)Enthalpy of Vaporization: 61.93 kJ/mol; (21)Boiling Point: 372.2 °C at 760 mmHg; (22)Vapour Pressure: 9.79E-06 mmHg at 25 °C.
Uses of Benzonitrile,2-fluoro-6-[4-(methylthio)phenoxy]-: it can be used to produce other chemicals. For example, it is used to produce 2-(3-methoxy-phenoxy)-6-(4-methylsulfanyl-phenoxy)-benzonitrile with 3-methoxy-phenol. The reaction occurs with reagents KF*Al2O3 and 18-crown-6 and other condition of heating for 18 hours. The solvent of this reaction is acetonitrile. The yield is 99 %. The reaction equation is as followed:
When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation, in contact with skin and if swallowed. In addition, you should not breathe gas, fumes, vapour and spray. You also should wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc2cccc(Oc1ccc(SC)cc1)c2C#N
(2) InChI: InChI=1/C14H10FNOS/c1-18-11-7-5-10(6-8-11)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
(3) InChIKey: KIJMTRJIUKHLPE-UHFFFAOYAO