1-Amino-2-naphthol-4-sulfonic acid

HCID 8316CAS 116-63-2
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1c(O)cc(S(=O)(=O)O)c2ccccc12
InChIKey
RXCMFQDTWCCLBL-UHFFFAOYSA-N
Molecular formula
C10H9NO4S
Average molar mass
239.25 g/mol
Monoisotopic mass
239.02522877

Overview

4-amino-3-hydroxynaphthalene-1-sulfonic acid is a naphthalenesulfonic acid and an aminonaphthalene. It has a role as a mutagen. It is functionally related to a 2-naphthol.

Names & identifiers

Preferred name
1-Amino-2-naphthol-4-sulfonic acid
IUPAC
4-amino-3-hydroxynaphthalene-1-sulfonic acid
English name
1-Amino-2-naphthol-4-sulfonic acid
Molecular formula
C10H9NO4S
Molecular weight
239.25

Names & synonyms

116-63-21-Amino-2-naphthol-4-sulfonic acid4-Amino-3-hydroxy-1-naphthalenesulfonic acid1-Amino-4-sulfo-2-naphthol1,2,4-Acid1-NAPHTHALENESULFONIC ACID, 4-AMINO-3-HYDROXY-ANSK compoundW46SK3P33GNSC-25061DTXSID7059434RefChem:429209DTXCID1033373
Show more names
1-AMINO-2-NAPHTHOL-4-SULPHONIC ACID1-AMINO-2-HYDROXY-4-NAPHTHALENESULFONIC ACIDTIMTEC-BB SBB0088701-Amino-2-naphthol-4LABOTEST-BB LT004543793-Hydroxynaphthionic acid1-Amino-2-naphthol-4-sulfonic
204-147-34-Amino-3-hydroxynaphthalene-1-sulfonic acid4-Amino-3-hydroxynaphthalenesulfonic acid2-Hydroxy-4-sulfo-1-naphthylamineMFCD000040194-Amino-3-hydroxynaphthalene-1-sulphonic acid4-amino-3-hydroxy-naphthalene-1-sulfonic acid4-Amino-3-Hydroxy-1-Naphdialene Sulfonic Acid

Database identifiers

CAS
116-63-2
PubChem CID
8316
DTXSID
DTXSID7059434
ChEMBL
CHEMBL2312198
ChEBI
CHEBI:19024
UNII
W46SK3P33G
EC Number
204-147-3
Nikkaji
J4.639F

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
109 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
16

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Naphthylamines
Physical DescriptionWhite or grey solid; May turn pink on light exposure (especially if moist); [Merck Index] White or pink powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
290 °C · 290 °C (dec.)(lit.)
Density
1.4338 · 1.4338 (rough estimate)
bulk density
280 kg/m3 · 280kg/m3
refractive index
1.65 · 1.6500 (estimate)
storage temp.
30 °C · Store below +30°C.
solubility
DMSO (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 15.4% (2 of 13) of reports.

Warning

H315 (76.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 13 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 1-Naphthalenesulfonic acid, 4-amino-3-hydroxy-

1-Naphthalenesulphonic acid, 4-amino-3-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See 4-Aminophenol hydrochloride.
Hazard Classes and CategoriesSkin Irrit. 2 (76.9%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
rtecs
QK1292000
ridadr
3265
hs_code
29222100

Chemistry & industry

Uses & manufacturing

UsesUsed to make azo dyes and 1,2-naphthoquinone-4-sulfonic acid; [Merck Index]
General Manufacturing Information1-Naphthalenesulfonic acid, 4-amino-3-hydroxy-: ACTIVE

Applications

Uses4-Amino-3-hydroxy-1-naphthalenesulfonic acid is used as mordant dyes and acid dyes intermediate.

Uses1-Amino-2-naphthol-4-sulfonic acid can be used in determination of phosphate.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Additional notes

DefinitionChEBI: 4-amino-3-hydroxynaphthalene-1-sulfonic acid is a naphthalenesulfonic acid and an aminonaphthalene. It has a role as a mutagen. It is functionally related to a 2-naphthol.

Related reactions

2 records
New reaction record

Linked notes

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