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CAS No.: | 24115-20-6 |
---|---|
Name: | 2-(4-FLUOROPHENOXY)ACETONITRILE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C8H6FNO |
Molecular Weight: | 151.14 |
Synonyms: | Acetonitrile, (4-fluorophenoxy)- (9CI);Acetonitrile,(p-fluorophenoxy)- (8CI);(4-Fluorophenoxy)acetonitrile; |
Density: | 1.185 g/cm3 |
Melting Point: | 151.1 °C |
Boiling Point: | 258.1 °C at 760 mmHg |
Flash Point: | 109.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 33.02000 |
LogP: | 1.72808 |
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The Acetonitrile, 2-(4-fluorophenoxy)-, with the CAS registry number 24115-20-6, is also known as (4-Fluorophenoxy)acetonitrileile. This chemical's molecular formula is C8H6FNO and molecular weight is 151.14. What's more, its IUPAC name is 2-(4-fluorophenoxy)acetonitrile.
Physical properties about the Acetonitrile, 2-(4-fluorophenoxy)- are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.83; (6)ACD/BCF (pH 7.4): 17.83; (7)ACD/KOC (pH 5.5): 273.69; (8)ACD/KOC (pH 7.4): 273.69; (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: 1.499; (14)Molar Refractivity: 37.47 cm3; (15)Molar Volume: 127.5 cm3; (16)Polarizability: 14.85×10-24cm3; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.185 g/cm3; (19)Flash Point: 109.9 °C; (20)Enthalpy of Vaporization: 49.56 kJ/mol; (21)Boiling Point: 258.1 °C at 760 mmHg; (22)Vapour Pressure: 0.014 mmHg at 25 °C.
When you are dealing with this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, it may cause inflammation to the skin or other mucous membranes. Besides, it is harmful by inhalation, in contact with skin and if swallowed. During using it, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(OCC#N)cc1
(2) InChI: InChI=1/C8H6FNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2
(3) InChIKey: ODBGONFPCSVCCM-UHFFFAOYAH