4-Hydroxy-N-methyl-3-nitrobenzenesulfonamide supplier

Name
2-Nitrophenol-4-sulfomethyl amide
EINECS 202-517-9
CAS No. 96-58-2
Article Data2
CAS DataBase
Density 1.544g/cm³
Solubility
Melting Point
Formula C₇H₈N₂O₅S
Boiling Point 382.4 °C at 760 mmHg
Molecular Weight 232.217
Flash Point 185.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Hydroxy-N-methyl-3-nitrobenzenesulphonamide;N-methyl-3-nitro-4-phenolsulfonamide;4-hydroxy-N-methyl-3-nitrobenzenesulfonamide;Benzenesulfonamide, 4-hydroxy-n-methyl-3-nitro-;
PSA 120.60000
LogP 2.20340

4-Hydroxy-N-methyl-3-nitrobenzenesulfonamide Specification

This chemical is called 2-Nitrophenol-4-sulfomethyl amide, and it can also be named as N-methyl-3-nitro-4-phenolsulfonamide. With the CAS number of 96-58-2, its IUPAC name is 4-Hydroxy-N-methyl-3-nitrobenzenesulfonamide. Usually, the molecular formula of the 2-Nitrophenol-4-sulfomethyl amide is C₇H₈N₂O₅S.

Other characteristics of this chemical can be summarised as followings: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): -0.78; (5)ACD/BCF (pH 5.5): 2.19; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 43.6; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 100.81 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 51.41 g/cm³; (15)Molar Volume: 150.2 cm³; (16)Polarizability: 20.38×10^-24cm³; (17)Surface Tension: 63.2 dyne/cm; (18)Density: 1.544 g/cm³; (19)Flash Point: 185.1 °C; (20)Enthalpy of Vaporization: 65.56 kJ/mol; (21)Boiling Point: 382.4 °C at 760 mmHg; (22)Vapour Pressure: 2.14E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1O)S(=O)(=O)NC
(2)InChI:InChI=1/C7H8N2O5S/c1-8-15(13,14)5-2-3-7(10)6(4-5)9(11)12/h2-4,8,10H,1H3
(3)InChIKey: ORCOFVZAETWNGU-UHFFFAOYAB
(4)Std. InChI:InChI=1S/C7H8N2O5S/c1-8-15(13,14)5-2-3-7(10)6(4-5)9(11)12/h2-4,8,10H,1H3
(5)Std. InChIKey: ORCOFVZAETWNGU-UHFFFAOYSA-N

Product Name

2-Nitrophenol-4-sulfomethyl amide

4-Hydroxy-N-methyl-3-nitrobenzenesulfonamide Specification

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