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

Name
2-CHLORO-N,N-DIETHYL-5-NITRO-BENZENESULFONAMIDE
EINECS
CAS No. 4750-91-8
Article Data1
CAS DataBase
Density 1.382 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃ClN₂O₄S
Boiling Point 414.1 °C at 760 mmHg
Molecular Weight 292.743
Flash Point 204.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-1-diethylsulfamoyl-5-nitrobenzene;N,N-Diethyl-3-nitro-6-chlorobenzenesulfonamide;
PSA 91.58000
LogP 3.88270

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

Product Name

2-CHLORO-N,N-DIETHYL-5-NITRO-BENZENESULFONAMIDE

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

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