7-Amino-4-hydroxy-2-naphthalenesulfonic acid

HCID 6868CAS 87-02-5
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1
InChIKey
KYARBIJYVGJZLB-UHFFFAOYSA-N
Molecular formula
C10H9NO4S
Average molar mass
239.25 g/mol
Monoisotopic mass
239.02522877

Overview

7-amino-4-hydroxy-2-naphthalenesulfonic acid is an aminonaphthalenesulfonic acid that is 2-naphthalenesulfonic acid substituted by an amino group at position 7 and a hydroxy group at position 4 respectively. It has a role as a metabolite. It is a member of naphthols and an aminonaphthalenesulfonic acid.

Names & identifiers

Preferred name
7-Amino-4-hydroxy-2-naphthalenesulfonic acid
IUPAC
7-amino-4-hydroxynaphthalene-2-sulfonic acid
English name
J acid
Molecular formula
C10H9NO4S
Molecular weight
239.25

Names & synonyms

87-02-57-AMINO-4-HYDROXY-2-NAPHTHALENESULFONIC ACIDIsogamma acid2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-1-Hydroxy-6-amino-3-naphthalenesulfonic acid9A1IU1C93LNSC-7556NSC-8631NSC-31510CHEBI:873167-NH2-4-OH-2-NSARefChem:433151
Show more names
Diacid6-Amino-1-naphthol-3-sulfonic Acid HydrateI-ACIDkyselinaiIso-γ acid
201-718-97-amino-4-hydroxynaphthalene-2-sulfonic acidJ acid2-Amino-5-naphthol-7-sulfonic AcidI acid6-Amino-1-naphthol-3-sulfonic acidKyselina I [Czech]Kyselina I

Database identifiers

CAS
87-02-5
PubChem CID
6868
DTXSID
DTXSID7026520
ChEMBL
CHEMBL220259
ChEBI
CHEBI:87316
UNII
9A1IU1C93L
EC Number
201-718-9
Nikkaji
J356E

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

Physical DescriptionDry Powder
Collision Cross Section153.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7026520]

Physicochemical properties

Density
1.4338 · 1.4338 (rough estimate)
vapor pressure
0 Pa · 0Pa at 25℃
refractive index
1.65 · 1.6500 (estimate)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
Slightly soluble in water
pka
-0.28 · -0.28±0.40(Predicted)

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 78.3% (173 of 221) of all reports.

Danger

H314 (20.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 221 reports by companies from 5 notifications to the ECHA C&L Inventory.

Not Classified

Hazard information

Regulatory Information · 4 items

Chemical: 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-

2-Naphthalenesulfonic acid, 7-amino-4-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 06-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/5592

2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Corr. 1B (20.8%)

Safety data

F
21
PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
1
tsca
TSCA listed
rtecs
QK1295500
ridadr
UN 2585 8/PG 3

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <75,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 items

Synthetic Dye and Pigment Manufacturing

2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-: ACTIVE

Applications

UsesAzo dye intermediate.

Upstream & downstream products

Downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北宥澄新材料科技有限公司17764017698 13163370568 · [email protected]
Additional notes · 1 item

DefinitionChEBI: 7-amino-4-hydroxy-2-naphthalenesulfonic acid is an aminonaphthalenesulfonic acid that is 2-naphthalenesulfonic acid substituted by an amino group at position 7 and a hydroxy group at position 4 respectively. It has a role as a metabolite. It is an aminonaphthalenesulfonic acid and a member of naphthols.

Related reactions

6 records
New reaction record

Linked notes

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