1,6-Cleve's acid

HCID 8408CAS 119-79-9
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1cccc2cc(S(=O)(=O)O)ccc12
InChIKey
UWPJYQYRSWYIGZ-UHFFFAOYSA-N
Molecular formula
C10H9NO3S
Average molar mass
223.25 g/mol
Monoisotopic mass
223.03031415

Overview

5-aminonaphthalene-2-sulfonic acid is an aminonaphthalenesulfonic acid.

Names & identifiers

Preferred name
1,6-Cleve's acid
IUPAC
5-aminonaphthalene-2-sulfonic acid
English name
5-Aminonaphthalene-2-sulphonic acid
Molecular formula
C10H9NO3S
Molecular weight
223.25

Names & synonyms

119-79-95-Amino-2-naphthalenesulfonic acid5-aminonaphthalene-2-sulfonic acid1,6-Cleve's acid2-Naphthalenesulfonic acid, 5-amino-1-NAPHTHYLAMINE-6-SULFONIC ACIDCleve's beta-acid5-Naphthylamine-2-sulfonic acidCleve's acid-1,6Kyselina cleve5-Aminonaphthalene-2-sulphonic acid1-Amino-6-naphthalenesulfonic acid
Show more names
5-Aminophthalene-2-sulfonic acid1-Aminonaphthalene-6-sulfonic acid
1-Amino-6-sulfonaphthaleneKyselina cleve [Czech]Cleve's .beta.-acidKyselina 1-naftylamin-6-sulfonovaNSC 31506EINECS 204-351-2BRN 1819887Kyselina 1-naftylamin-6-sulfonova [Czech]

Database identifiers

CAS
119-79-9、51548-48-2
PubChem CID
8408
DTXSID
DTXSID6059497
ChEMBL
CHEMBL1234578
ChEBI
CHEBI:44188
UNII
59G56TB11B
EC Number
204-351-2、257-269-4
Nikkaji
J5.316C

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
88.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
15

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Density
1.502 · 1.502[at 20℃]
Water Solubility
1000 g/L · 1000g/L at 25℃
FDA UNII
59 G56TB11B · 59G56TB11B
REACH Registrations
Active

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 71.4% (10 of 14) of all reports.

H412 (14.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 6 notifications to the ECHA C&L Inventory.

This chemical does not meet GHS hazard criteria for 50% (3 of 6) of reports.

Warning

Hazard information

Regulatory Information · 2 items

Status: Active Update: 20-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11628

Status: Active Update: 06-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18874

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (33.3%)

Aquatic Chronic 3 (14.3%)

Safety data

REACH Registrations
Active

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Naphthalenesulfonic acid, 5-amino-: ACTIVE

Upstream & downstream products

Suppliers30 total

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
宁波万核化学科技有限公司+86-15827200700 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionChEBI: 5-aminonaphthalene-2-sulfonic acid is an aminonaphthalenesulfonic acid.

Related reactions

10 records
New reaction record

Linked notes

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