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Name |
4-(2-Chloro-ethyl)benzenesulfonamide |
EINECS | N/A |
CAS No. | 5378-85-8 | Density | 1.351 g/cm3 |
PSA | 68.54000 | LogP | 2.89640 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H10ClNO2S | Boiling Point | 387 °C at 760 mmHg |
Molecular Weight | 219.6885 | Flash Point | 187.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzenesulfonamide, 4-(2-chloroethyl)-; |
Article Data | 1 |
The 4-(2-Chloro-ethyl)benzenesulfonamide, with the CAS registry number 5378-85-8, is also known as Benzenesulfonamide, 4-(2-chloroethyl)-. This chemical's molecular formula is C8H10ClNO2S and molecular weight is 219.6885. What's more, its systematic name is called 4-(2-Chloroethyl)benzenesulfonamide.
Physical properties about 4-(2-Chloro-ethyl)benzenesulfonamide are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 3.28; (6)ACD/BCF (pH 7.4): 3.28; (7)ACD/KOC (pH 5.5): 81.48; (8)ACD/KOC (pH 7.4): 81.33; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 45.76 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 53.28 cm3; (15)Molar Volume: 162.5 cm3; (16)Surface Tension: 49 dyne/cm; (17)Density: 1.351 g/cm3; (18)Flash Point: 187.9 °C; (19)Enthalpy of Vaporization: 63.61 kJ/mol; (20)Boiling Point: 387 °C at 760 mmHg; (21)Vapour Pressure: 3.39E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCCc1ccc(cc1)S(=O)(=O)N
(2) InChI: InChI=1/C8H10ClNO2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6H2,(H2,10,11,12)
(3) InChIKey: WKYSWWZJELJZLO-UHFFFAOYAD