Benzenesulfonic acid,6-amino-3-methyl-2-nitro- supplier

Name
4-AMINO-2-NITRO-3-TOLUENESULFONIC ACID
EINECS
CAS No. 226711-11-1
Density 1.628 g/cm³
Solubility
Melting Point
Formula C₇H₈N₂O₅S
Boiling Point
Molecular Weight 232.21
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Amino-2-nitrotoluene-3-sulfonicacid;
PSA 134.59000
LogP 2.91730

Benzenesulfonic acid,6-amino-3-methyl-2-nitro- Specification

The CAS registry number of Benzenesulfonic acid,6-amino-3-methyl-2-nitro- is 226711-11-1. This chemical is also named as Toluene-m-sulfonic acid, 4-amino-2-nitro-. In addition, its molecular formula is C₇H₈N₂O₅S and molecular weight is 232.21. Its systematic name is called 6-amino-3-methyl-2-nitrobenzenesulfonic acid.

Physical properties about Benzenesulfonic acid,6-amino-3-methyl-2-nitro- are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.23; (4)ACD/LogD (pH 7.4): -2.23; (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: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.639; (13)Molar Refractivity: 51.37 cm³; (14)Molar Volume: 142.6 cm³; (15)Surface Tension: 77.8 dyne/cm; (16)Density: 1.628 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1c(c(ccc1N)C)[N+]([O-])=O
(2)InChI: InChI=1/C7H8N2O5S/c1-4-2-3-5(8)7(15(12,13)14)6(4)9(10)11/h2-3H,8H2,1H3,(H,12,13,14)
(3)InChIKey: OTVUVZCOLDTZOY-UHFFFAOYAN

Product Name

4-AMINO-2-NITRO-3-TOLUENESULFONIC ACID

Benzenesulfonic acid,6-amino-3-methyl-2-nitro- Specification

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