Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzenesulfonamide,2-chloro-N,N-diethyl-5-nitro- |
EINECS | N/A |
CAS No. | 4750-91-8 | Density | 1.382 g/cm3 |
PSA | 91.58000 | LogP | 3.88270 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H13ClN2O4S | Boiling Point | 414.1 °C at 760 mmHg |
Molecular Weight | 292.743 | Flash Point | 204.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Chloro-1-diethylsulfamoyl-5-nitrobenzene;N,N-Diethyl-3-nitro-6-chlorobenzenesulfonamide; |
Article Data | 1 |
The CAS registry number of Benzenesulfonamide, 2-chloro-N,N-diethyl-5-nitro- is 4750-91-8. This chemical is also named as N,N-Diethyl-3-nitro-6-chlorobenzenesulfonamide. In addition, its molecular formula is C10H13ClN2O4S and molecular weight is 292.7392. Its systematic name and IUPAC name are the same which is called 2-chloro-N,N-diethyl-5-nitrobenzenesulfonamide.
Physical properties about Benzenesulfonamide, 2-chloro-N,N-diethyl-5-nitro- are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 121.81; (6)ACD/BCF (pH 7.4): 121.81; (7)ACD/KOC (pH 5.5): 1082.8; (8)ACD/KOC (pH 7.4): 1082.8; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.563; (13)Molar Refractivity: 68.83 cm3; (14)Molar Volume: 211.7 cm3; (15)Surface Tension: 50.3 dyne/cm; (16)Density: 1.382 g/cm3; (17)Flash Point: 204.2 °C; (18)Enthalpy of Vaporization: 66.7 kJ/mol; (19)Boiling Point: 414.1 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(ccc1Cl)[N+]([O-])=O)N(CC)CC
(2)InChI: InChI=1/C10H13ClN2O4S/c1-3-12(4-2)18(16,17)10-7-8(13(14)15)5-6-9(10)11/h5-7H,3-4H2,1-2H3
(3)InChIKey: WXIUJTBQHFXCLZ-UHFFFAOYAY