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CAS No.: | 146533-47-3 |
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Name: | 2-CHLORO-4-(TRIFLUOROMETHYL)BENZENESULFONAMIDE |
Molecular Structure: | |
Formula: | C7H5ClF3NO2S |
Molecular Weight: | 259.64 |
Synonyms: | 2-Chloro-4-trifluoromethylbenzenesulfonamide; |
Density: | 1.584 g/cm3 |
Melting Point: | 169-171 °C |
Boiling Point: | 325.5 °C at 760 mmHg |
Flash Point: | 150.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 68.54000 |
LogP: | 3.78730 |
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The CAS registry number of Benzenesulfonamide,2-chloro-4-(trifluoromethyl)- is 146533-47-3. This chemical is also named as 2-Chloro-4-(trifluoromethyl)benzene-1-sulfonamide. In addition, its molecular formula is C7H5ClF3NO2S and molecular weight is 259.64. Its systematic name and IUPAC name are the same which is called 2-chloro-4-(trifluoromethyl)benzenesulfonamide. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzenesulfonamide,2-chloro-4-(trifluoromethyl)- are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.47; (6)ACD/BCF (pH 7.4): 13.29; (7)ACD/KOC (pH 5.5): 223.87; (8)ACD/KOC (pH 7.4): 220.89; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.51; (13)Molar Refractivity: 49 cm3; (14)Molar Volume: 163.8 cm3; (15)Surface Tension: 40 dyne/cm; (16)Density: 1.584 g/cm3; (17)Flash Point: 150.7 °C; (18)Enthalpy of Vaporization: 56.77 kJ/mol; (19)Boiling Point: 325.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000229 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1Cl)C(F)(F)F)N
(2)InChI: InChI=1/C7H5ClF3NO2S/c8-5-3-4(7(9,10)11)1-2-6(5)15(12,13)14/h1-3H,(H2,12,13,14)
(3)InChIKey: ZKBZHFCXIXOBTJ-UHFFFAOYAX