2-Fluoro-4-(methylsulfonyl)aniline supplier

Name
2-Fluoro-4-(methylsulfonyl)aniline
EINECS
CAS No. 832755-13-2
Article Data5
CAS DataBase
Density 1.374 g/cm³
Solubility
Melting Point 145-147 °C
Formula C₇H₈FNO₂S
Boiling Point 370.989 °C at 760 mmHg
Molecular Weight 189.21
Flash Point 178.168 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms (2-Fluoro-4-methylsulfonylphenyl)amine;2-Fluoro-4-methylsulfonylaniline;2-Fluoro-4-(methylsulphonyl)aniline;2-fluoro-4-methylsulfonyl-aniline;Benzenamine, 2-fluoro-4-(methylsulfonyl)-;
PSA 68.54000
LogP 2.47340

2-Fluoro-4-(methylsulfonyl)aniline Specification

The Benzenamine,2-fluoro-4-(methylsulfonyl)-, with the CAS registry number 832755-13-2, has the IUPAC name of 2-fluoro-4-methylsulfonylaniline. It is a kind of irritant chemcial, and belongs to the following product categories: Amines and Anilines; Boron, Nitrile, Thio & TM-Cpds; Benzene series; API intermediates. And the molecular formula of the chemical is C₇H₈FNO₂S.

The physical properties of Benzenamine,2-fluoro-4-(methylsulfonyl)- are as followings: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.533; (4)ACD/LogD (pH 7.4): 0.533; (5)ACD/BCF (pH 5.5): 1.497; (6)ACD/BCF (pH 7.4): 1.497; (7)ACD/KOC (pH 5.5): 46.453; (8)ACD/KOC (pH 7.4): 46.453; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.54 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 43.927 cm³; (15)Molar Volume: 137.701 cm³; (16)Polarizability: 17.414×10^-24cm³; (17)Surface Tension: 46.006 dyne/cm; (18)Density: 1.374 g/cm³; (19)Flash Point: 178.168 °C; (20)Enthalpy of Vaporization: 61.795 kJ/mol; (21)Boiling Point: 370.989 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CS(=O)(=O)c1ccc(c(c1)F)N
(2)InChI: InChI=1/C7H8FNO2S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
(3)InChIKey: UGUIBNHHDIEZJI-UHFFFAOYAA

Product Name

2-Fluoro-4-(methylsulfonyl)aniline

2-Fluoro-4-(methylsulfonyl)aniline Specification

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