Benzenesulfonamide,N-(3-aminophenyl)-4-fluoro- supplier

Name
N-(3-AMINO-PHENYL)-4-FLUORO-BENZENESULFONAMIDE
EINECS
CAS No. 436089-66-6
Article Data2
CAS DataBase
Density 1.439 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁FN₂O₂S
Boiling Point 441.3 °C at 760 mmHg
Molecular Weight 266.296
Flash Point 220.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms N-(3-Aminophenyl)-4-fluorobenzenesulfonamide;
PSA 80.57000
LogP 3.94370

Benzenesulfonamide,N-(3-aminophenyl)-4-fluoro- Specification

The CAS registry number of Benzenesulfonamide,N-(3-aminophenyl)-4-fluoro- is 436089-66-6. Its molecular formula is C₁₂H₁₁FN₂O₂S and molecular weight is 266.29. Its systematic name and IUPAC name are the same which is called N-(3-aminophenyl)-4-fluorobenzenesulfonamide. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzenesulfonamide,N-(3-aminophenyl)-4-fluoro- are: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.39; (6)ACD/BCF (pH 7.4): 11.94; (7)ACD/KOC (pH 5.5): 209.8; (8)ACD/KOC (pH 7.4): 202.15; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.652; (13)Molar Refractivity: 67.66 cm³; (14)Molar Volume: 185 cm³; (15)Surface Tension: 62.6 dyne/cm; (16)Density: 1.439 g/cm³; (17)Flash Point: 220.7 °C; (18)Enthalpy of Vaporization: 69.85 kJ/mol; (19)Boiling Point: 441.3 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Nc1cccc(c1)N)c2ccc(F)cc2
(2)InChI: InChI=1/C12H11FN2O2S/c13-9-4-6-12(7-5-9)18(16,17)15-11-3-1-2-10(14)8-11/h1-8,15H,14H2
(3)InChIKey: MGYRPTXKLDYADH-UHFFFAOYAP

Product Name

N-(3-AMINO-PHENYL)-4-FLUORO-BENZENESULFONAMIDE

Benzenesulfonamide,N-(3-aminophenyl)-4-fluoro- Specification

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