Benzenesulfonic acid,3-methyl-2,6-dinitro- supplier

Name
2,4-DINITROTOLUENE-3-SULFONIC ACID SODIUM SALT
EINECS
CAS No. 63348-71-0
Article Data3
CAS DataBase
Density 1.723 g/cm³
Solubility
Melting Point
Formula C₇H₆N₂O₇S
Boiling Point
Molecular Weight 262.2
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4-Dinitrotoluene-3-sulfonicacid;3-Methyl-2,6-dinitrobenzenesulfonic acid;
PSA 157.22000
LogP 2.84270

Benzenesulfonic acid,3-methyl-2,6-dinitro- Specification

The CAS registry number of Benzenesulfonic acid,3-methyl-2,6-dinitro- is 63348-71-0. This chemical is also named as 2,4-Dinitrotoluene-3-sulfonic acid. In addition, its molecular formula is C₇H₆N₂O₇S and molecular weight is 262.1967. Its systematic name and IUPAC name are the same which is called 3-methyl-2,6-dinitrobenzenesulfonic acid.

Physical properties about Benzenesulfonic acid,3-methyl-2,6-dinitro- are: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.6; (4)ACD/LogD (pH 7.4): -2.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 9; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.624; (13)Molar Refractivity: 53.79 cm³; (14)Molar Volume: 152.1 cm³; (15)Surface Tension: 78.3 dyne/cm; (16)Density: 1.723 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(c(ccc1C)[N+]([O-])=O)S(=O)(=O)O
(2)InChI: InChI=1/C7H6N2O7S/c1-4-2-3-5(8(10)11)7(17(14,15)16)6(4)9(12)13/h2-3H,1H3,(H,14,15,16)
(3)InChIKey: IDXQNVNKGCTBKD-UHFFFAOYAX

Product Name

2,4-DINITROTOLUENE-3-SULFONIC ACID SODIUM SALT

Benzenesulfonic acid,3-methyl-2,6-dinitro- Specification

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