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CAS No.: | 330-83-6 |
---|---|
Name: | 4-FLUORODIPHENYLAMINE |
Article Data: | 78 |
Molecular Structure: | |
Formula: | C12H10FN |
Molecular Weight: | 187.217 |
Synonyms: | 4-Fluoro-N-phenylaniline;4-Fluorodiphenylamine;4-Fluoro-N-phenylbenzenamine;Diphenylamine,4-fluoro- (6CI,7CI,8CI); |
Density: | 1.172 g/cm3 |
Melting Point: | 38 °C |
Boiling Point: | 292.1 °C at 760 mmHg |
Flash Point: | 130.5 °C |
Hazard Symbols: | Xi |
PSA: | 12.03000 |
LogP: | 3.64230 |
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The Benzenamine,4-fluoro-N-phenyl-, with the CAS registry number 330-83-6, is also known as 4-Fluoro-N-phenylbenzenamine. This chemical's molecular formula is C12H10FN and molecular weight is 187.21. What's more, its systematic name is 4-fluoro-N-phenylaniline.
Physical properties of Benzenamine,4-fluoro-N-phenyl- are: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.42; (4)ACD/LogD (pH 7.4): 3.42; (5)ACD/BCF (pH 5.5): 232.36; (6)ACD/BCF (pH 7.4): 232.36; (7)ACD/KOC (pH 5.5): 1719.1; (8)ACD/KOC (pH 7.4): 1719.14; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 55.62 cm3; (15)Molar Volume: 159.6 cm3; (16)Polarizability: 22.04×10-24cm3; (17)Surface Tension: 42.5 dyne/cm; (18)Density: 1.172 g/cm3; (19)Flash Point: 130.5 °C; (20)Enthalpy of Vaporization: 53.16 kJ/mol; (21)Boiling Point: 292.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00187 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ccc(Nc1ccccc1)cc2
(2)InChI: InChI=1S/C12H10FN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H
(3)InChIKey: RBWCFTJQRDTIBX-UHFFFAOYSA-N