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Benzenesulfonamide,2-chloro-N,N-diethyl-5-nitro-

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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 Molecular Structure of 4750-91-8 (2-CHLORO-N,N-DIETHYL-5-NITRO-BENZENESULFONAMIDE) Hazard Symbols N/A
Synonyms

2-Chloro-1-diethylsulfamoyl-5-nitrobenzene;N,N-Diethyl-3-nitro-6-chlorobenzenesulfonamide;

Article Data 1

Benzenesulfonamide,2-chloro-N,N-diethyl-5-nitro- Specification

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

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