3-Amino-4-hydroxy-5-nitrobenzenesulfonic acid - 96-93-5

3-Amino-4-hydroxy-5-nitrobenzenesulfonic acid

Catalog Number: EVT-332587
CAS Number: 96-93-5
Molecular Formula: C6H6N2O6S
Molecular Weight: 234.19 g/mol
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Product Introduction

Description
3-Amino-4-hydroxy-5-nitrobenzenesulfonic acid, also known as 2-amino-6-nitro-1-phenol-4-sulfonic acid, is a compound with the molecular formula C6H6N2O6S . It has a molecular weight of 234.19 . The compound is colorless prisms when formed from water .

Molecular Structure Analysis

The linear formula of 3-Amino-4-hydroxy-5-nitrobenzenesulfonic acid is H2NC6H2(OH)(NO2)SO3H . The InChI code is 1S/C6H6N2O6S/c7-4-1-3(15(12,13)14)2-5(6(4)9)8(10)11/h1-2,9H,7H2,(H,12,13,14) and the SMILES string is Nc1cc(cc(c1O)N+[O-])S(=O)(=O)O .

Physical And Chemical Properties Analysis

The compound has a melting point of 325 °C (dec.) (lit.) . More detailed physical and chemical properties were not found in the search results.

Properties

CAS Number

96-93-5

Product Name

3-Amino-4-hydroxy-5-nitrobenzenesulfonic acid

IUPAC Name

3-amino-4-hydroxy-5-nitrobenzenesulfonic acid

Molecular Formula

C6H6N2O6S

Molecular Weight

234.19 g/mol

InChI

InChI=1S/C6H6N2O6S/c7-4-1-3(15(12,13)14)2-5(6(4)9)8(10)11/h1-2,9H,7H2,(H,12,13,14)

InChI Key

RHPXYZMDLOJTFF-UHFFFAOYSA-N

SMILES

C1=C(C=C(C(=C1N)O)[N+](=O)[O-])S(=O)(=O)O

Solubility

Soluble (NTP, 1992)

Canonical SMILES

C1=C(C=C(C(=C1N)O)[N+](=O)[O-])S(=O)(=O)O

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