4-Amino-1-naphthalenesulfonic acid

HCID 6790CAS 84-86-6

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc(S(=O)(=O)O)c2ccccc12
InChIKey: NRZRRZAVMCAKEP-UHFFFAOYSA-N
Molecular formula: C10H9NO3S
Average molar mass: 223.25 g/mol
Monoisotopic mass: 223.03031415

Overview

Naphthionic acid is an aminonaphthalenesulfonic acid.

Names & identifiers

Preferred name: 4-Amino-1-naphthalenesulfonic acid
IUPAC: 4-aminonaphthalene-1-sulfonic acid
English name: 1-Naphthalenesulfonic acid, 4-amino-, diazotized, coupled with diazotized aniline and resorcinol
Molecular formula: C10H9NO3S
Molecular weight: 223.24836

Names & synonyms

Naphthionic acid84-86-64-Aminonaphthalene-1-sulfonic acid4-AMINO-1-NAPHTHALENESULFONIC ACIDPiria's acid1-Naphthylamine-4-sulfonic acidNaphthionsaeure1,4-Naphthionic acid1-Amino-4-sulfonaphthalene1-Naphthalenesulfonic acid, 4-amino-alpha-Naphthylamine-p-sulfonic acidalpha-Naphthylamine-4-sulfonic acid

Show more names

1-Naphthalenesulfonic acid, 4-amino-, diazotized, coupled with diazotized aniline and resorcinol

8ZIK65C5CDNSC-41554-aminonaphthalenesulfonic acidDTXSID3058909CHEBI:38219RefChem:164663DTXCID1048384201-567-9

Database identifiers

CAS: 84-86-6、90459-10-2
PubChem CID: 6790
DTXSID: DTXSID3058909
ChEMBL: CHEMBL444041
ChEBI: CHEBI:38219
UNII: 8ZIK65C5CD
EC Number: 201-567-9、291-651-1
Nikkaji: J4.902F

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 88.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 322

Experimental & physicochemical properties

SpringerMaterials PropertiesCrystal structure

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 152 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.