5-Amino-2-hydroxybenzenesulphonic acid

HCID 76076

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2835-04-3
Standard SMILES: Nc1ccc(O)c(S(=O)(=O)O)c1
InChIKey: SILINKWDNDDXTL-UHFFFAOYSA-N
Molecular formula: C6H7NO4S
Average molar mass: 189.19 g/mol
Monoisotopic mass: 189.00957888

Names & identifiers

Preferred name: 5-Amino-2-hydroxybenzenesulphonic acid
IUPAC: 5-amino-2-hydroxybenzenesulfonic acid
English name: 5-amino-2-hydroxybenzenesulphonic acid
Molecular formula: C6H7NO4S
Molecular weight: 189.19

Names & synonyms

5-Amino-2-hydroxybenzenesulfonic acid2835-04-35-Amino-2-hydroxybenzenesulphonic acidDTXSID80182590EINECS 220-607-6NSC 81214RefChem:532188DTXCID20105081220-607-64-Hydroxy-3-sulfoanilinePZ6RJQ5U3WMetanilic acid, 6-hydroxy-

Show more names

6-Hydroxymetanilic acid4-Aminophenol-2-sulfonic acid3-Amino-6-hydroxybenzenesulfonic acid5-azanyl-2-hydroxy-benzenesulfonic acid

Benzenesulfonic acid, 5-amino-2-hydroxy-NSC-812141-Phenol-2-sulfonic acid, 4-amino-NSC81214Sulfo-p-Amidophenol5-amino-2-hydroxybenzene-1-sulfonic acidUNII-PZ6RJQ5U3W5-Amino-o-phenolsulfonic acid

Database identifiers

CAS: 2835-04-3
PubChem CID: 76076
DTXSID: DTXSID80182590
UNII: PZ6RJQ5U3W
EC Number: 220-607-6
Nikkaji: J80.570J

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 109 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 245

Physicochemical properties

Density: 1.5149 · 1.5149 (rough estimate)
refractive index: 1.55 · 1.5500 (estimate)
pka: -1.18 · -1.18±0.42(Predicted)
Water Solubility: 0.7 g/L · 0.7g/L(14 ºC)
FDA UNII: 6 RJQ5U3W · PZ6RJQ5U3W
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319-H317
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H319-H317
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501