4-Amino-5-hydroxy-1,7-naphthalenedisulfonic acid

HCID 67224

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Basic information

CAS: 130-23-4
Standard SMILES: Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12
InChIKey: ZUQOBHTUMCEQBG-UHFFFAOYSA-N
Molecular formula: C10H9NO7S2
Average molar mass: 319.3 g/mol
Monoisotopic mass: 318.98204397

Names & identifiers

Preferred name: 4-Amino-5-hydroxy-1,7-naphthalenedisulfonic acid
IUPAC: 4-amino-5-hydroxynaphthalene-1,7-disulfonic acid
English name: N,N-methylenebis N'-1-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl urea
Molecular formula: C10H9NO7S2
Molecular weight: 319.31

Names & synonyms

130-23-41,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-4-Amino-5-hydroxynaphthalene-1,7-disulphonic acidXG4RHP73ZNNSC-71104-amino-5-hydroxy-1,7-naphthalenedisulfonic acidDTXSID60156279NSC 7110RefChem:97794DTXCID2078770204-982-34-amino-5-hydroxynaphthalene-1,7-disulfonic acid

Show more names

Euopean K AcidEUROPEAN K-ACID1-Amino-8-naphthol-4,6-disulfonicaci1 AMINO 8 HYDROXY 4:6 DISULFONIC ACID1-amino-8-naphtho-4,6-Disulfonic acid8-AMINO-1-NAPHTHOL-3,5-DISULFONIC ACID4-Amino-5-naphthol-1,7-disulfonic acidKACID(1-AMINO-8NAPHTHO-4,6-DISULFONICACID)

1-Amino-8-naphthol-4,6-disulfonic acidK acidMFCD000357114-amino-5-hydroxy-naphthalene-1,7-disulfonic acidK-SaureEINECS 204-982-3AI3-50014UNII-XG4RHP73ZN

Database identifiers

CAS: 130-23-4
PubChem CID: 67224
DTXSID: DTXSID60156279
UNII: XG4RHP73ZN
EC Number: 204-982-3
Nikkaji: J7.405E

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 172 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 561

Physicochemical properties

Density: 1.88 · 1.880±0.06 g/cm3(Predicted)
pka: -0.83 · -0.83±0.40(Predicted)
Water Solubility: 20 g/L · 20g/L at 26.4℃
LogP: -2.33 · -2.33
CAS DataBase Reference: 130 · 130-23-4(CAS DataBase Reference)
FDA UNII: 4 RHP73ZN · XG4RHP73ZN
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 03-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17345

Hazard Classes and CategoriesAcute Tox. 4 (97.4%)

Regulatory information

Regulatory InformationStatus: Cease Manufacture Update: 03-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17345

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
REACH Registrations: Inactive
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesAzo dye intermediate.

UsesThe N-substituted derivatives of K acid, such as N-acetyl, N-benzoyl, N-(2,5-dichlorobenzoyl), and N-benzyl, are used as monoazo coupling components in special cases where an improvement in dye properties over the H acid analogue is demonstrable.