4-Chloro-N-methyl-3-nitrobenzenesulfonamide supplier

Name
2-NITROCHLOROBENZENE-4-SULFOMETHYL AMIDE
EINECS 205-296-7
CAS No. 137-48-4
Article Data9
CAS DataBase
Density 1.53g/cm³
Solubility
Melting Point
Formula C₇H₇ClN₂O₄S
Boiling Point 392.5°Cat760mmHg
Molecular Weight 250.663
Flash Point 191.2°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-5-methylaminosulfonylnitrobenzene;4-Chloro-N-methyl-3-nitrobenzenesulfonamide;
PSA 100.37000
LogP 3.15120

4-Chloro-N-methyl-3-nitrobenzenesulfonamide Specification

The 4-Chloro-N-methyl-3-nitrobenzenesulfonamide with cas registry number of 137-48-4, has the systematic name of 4-chloro-N-methyl-3-nitrobenzenesulfonamide. Its IUPAC name is also 4-chloro-N-methyl-3-nitrobenzenesulfonamide.

Physical properties about this chemical are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.35; (6)ACD/BCF (pH 7.4): 17.32; (7)ACD/KOC (pH 5.5): 268.4; (8)ACD/KOC (pH 7.4): 267.85; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 91.58 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 54.7 cm³; (15)Molar Volume: 163.8 cm³; (16)Polarizability: 21.68×10^-24cm³; (17)Surface Tension: 54.8 dyne/cm; (18)Enthalpy of Vaporization: 64.22 kJ/mol; (19)Vapour Pressure: 2.29E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1Cl)S(=O)(=O)NC;
(2)InChI: InChI=1/C7H7ClN2O4S/c1-9-15(13,14)5-2-3-6(8)7(4-5)10(11)12/h2-4,9H,1H3;
(3)InChIKey: UMNGEAKUUOJPAX-UHFFFAOYAB;
(4)Std. InChI: InChI=1S/C7H7ClN2O4S/c1-9-15(13,14)5-2-3-6(8)7(4-5)10(11)12/h2-4,9H,1H3;
(5)Std. InChIKey: UMNGEAKUUOJPAX-UHFFFAOYSA-N

Product Name

2-NITROCHLOROBENZENE-4-SULFOMETHYL AMIDE

4-Chloro-N-methyl-3-nitrobenzenesulfonamide Specification

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