3-Fluorodiphenylamine supplier

Name
3-Fluorodiphenylamine
EINECS
CAS No. 500-41-4
Article Data13
CAS DataBase
Density 1.172 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₀FN
Boiling Point 285.9 °C at 760 mmHg
Molecular Weight 187.217
Flash Point 126.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Fluorodiphenylamine, 98% min;
PSA 12.03000
LogP 3.64230

3-Fluorodiphenylamine Specification

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

Product Name

3-Fluorodiphenylamine

3-Fluorodiphenylamine Specification

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