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CAS No.: | 500-41-4 |
---|---|
Name: | 3-Fluorodiphenylamine |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C12H10FN |
Molecular Weight: | 187.217 |
Synonyms: | 3-Fluorodiphenylamine, 98% min; |
Density: | 1.172 g/cm3 |
Boiling Point: | 285.9 °C at 760 mmHg |
Flash Point: | 126.7 °C |
Hazard Symbols: | Xi |
PSA: | 12.03000 |
LogP: | 3.64230 |
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The CAS register number of 3-Fluorodiphenylamine is 500-41-4. The systematic name about this chemical is 3-fluoro-N-phenylaniline. The molecular formula about this chemical is C12H10FN and the molecular weight is 187.21. This chemical is irritant. It may cause inflammation to the skin or other mucous membranes.
Physical properties about 3-Fluorodiphenylamine are: (1)ACD/LogP: 3.46; (2)ACD/LogD (pH 5.5): 3.46; (3)ACD/LogD (pH 7.4): 3.46; (4)ACD/BCF (pH 5.5): 249.21; (5)ACD/BCF (pH 7.4): 249.21; (6)ACD/KOC (pH 5.5): 1807.47; (7)ACD/KOC (pH 7.4): 1807.47; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.613; (13)Molar Refractivity: 55.62 cm3; (14)Molar Volume: 159.6 cm3; (15)Polarizability: 22.04x10-24cm3; (16)Surface Tension: 42.5 dyne/cm; (17)Density: 1.172 g/cm3; (18)Flash Point: 126.7 °C; (19)Enthalpy of Vaporization: 52.5 kJ/mol; (20)Boiling Point: 285.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00272 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2cccc(Nc1ccccc1)c2
(2)InChI: InChI=1/C12H10FN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H
(3)InChIKey: YALRBUHWXPELQP-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C12H10FN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H
(5)Std. InChIKey: YALRBUHWXPELQP-UHFFFAOYSA-N