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Benzenesulfonamide,4-bromo-2-(trifluoromethyl)-

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Name

Benzenesulfonamide,4-bromo-2-(trifluoromethyl)-

EINECS N/A
CAS No. 351003-62-8 Density 1.809 g/cm3
PSA 68.54000 LogP 3.89640
Solubility N/A Melting Point 157-158 °C
Formula C7H5BrF3NO2S Boiling Point 346.6 °C at 760 mmHg
Molecular Weight 304.087 Flash Point 163.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 351003-62-8 (4-BROMO-2-(TRIFLUOROMETHYL)BENZENE SULFONAMIDE) Hazard Symbols IrritantXi
Synonyms

4-Bromo-2-(trifluoromethyl)benzenesulfonamide;

Article Data 5

Benzenesulfonamide,4-bromo-2-(trifluoromethyl)- Specification

The CAS registry number of Benzenesulfonamide,4-bromo-2-(trifluoromethyl)- is 351003-62-8. This chemical is also named as 4-Bromo-2-(trifluoromethyl)benzenesulphonamide. In addition, its molecular formula is C7H5BrF3NO2S and molecular weight is 304.08. Its systematic name and IUPAC name are the same which is called 4-bromo-2-(trifluoromethyl)benzenesulfonamide. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzenesulfonamide,4-bromo-2-(trifluoromethyl)- are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 7.12; (6)ACD/BCF (pH 7.4): 7.04; (7)ACD/KOC (pH 5.5): 141.79; (8)ACD/KOC (pH 7.4): 140.29; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.529; (13)Molar Refractivity: 51.9 cm3; (14)Molar Volume: 168 cm3; (15)Surface Tension: 41.2 dyne/cm; (16)Density: 1.809 g/cm3; (17)Flash Point: 163.4 °C; (18)Enthalpy of Vaporization: 59.08 kJ/mol; (19)Boiling Point: 346.6 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1c(cc(Br)cc1)C(F)(F)F)N
(2)InChI: InChI=1/C7H5BrF3NO2S/c8-4-1-2-6(15(12,13)14)5(3-4)7(9,10)11/h1-3H,(H2,12,13,14)
(3)InChIKey: AHFGKYBAYSEBPR-UHFFFAOYAH

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