1-Naphthylamine-4,7-disulfonic acid

HCID 66567CAS 85-75-6

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Basic information

Standard SMILES: Nc1ccc(S(=O)(=O)O)c2ccc(S(=O)(=O)O)cc12
InChIKey: QUFFRITXLMVPMV-UHFFFAOYSA-N
Molecular formula: C10H9NO6S2
Average molar mass: 303.3 g/mol
Monoisotopic mass: 302.98712901

Names & identifiers

Preferred name: 1-Naphthylamine-4,7-disulfonic acid
IUPAC: 4-aminonaphthalene-1,6-disulfonic acid
English name: 4-aminonaphthalene-1,6-disulfonic acid
Molecular formula: C10H9NO6S2
Molecular weight: 303.31

Names & synonyms

Dahl's acid III1-Naphthylamine-4,7-disulfonic acid85-75-64-Amino-1,6-naphthalenedisulfonic acidPV5B6JDG9R1,6-Naphthalenedisulfonic acid, 4-amino-NSC 7557NSC-7557EINECS 201-630-0DTXSID00589301-AMINO-4,7-NAPHTHALENEDISULFONIC ACID1-NAPHTHYLAMINE-4,7-DISULFONIC ACID [MI]

Show more names

4-azanylnaphthalene-1,6-disulfonic acid

RefChem:435042DTXCID70484574-aminonaphthalene-1,6-disulfonic acidUNII-PV5B6JDG9R4-Aminonaphthalene-1,6-disulphonic acidSCHEMBL1809359SCHEMBL1809362SCHEMBL31621937

Database identifiers

CAS: 85-75-6
PubChem CID: 66567
DTXSID: DTXSID0058930
UNII: PV5B6JDG9R
EC Number: 201-630-0
Nikkaji: J4.925E

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 152 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 531

Physicochemical properties

Boiling point: 205.8 °C · 205.8°C (rough estimate)
Density: 1.6329 · 1.6329 (rough estimate)
refractive index: 1.733 · 1.7330 (estimate)
FDA UNII: 5 B6JDG9R · PV5B6JDG9R
EPA Substance Registry System: 1 · 1,6-Naphthalenedisulfonic acid, 4-amino- (85-75-6)
RIDADR: 1759 · 1759
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III

Safety & regulation

Safety data

tsca: TSCA listed
ridadr: 1759
hazard_class: 8
packing_group: III

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,6-Naphthalenedisulfonic acid, 4-amino-: INACTIVE

Applications · 1 item

Description1-Aminonaphthalene-4,7-disulfonic acid [85-75-6]. (4-aminonaphthalene-1,6-disulfonic acid), Dahl’s acid III, C10H9NO6S2, Mr 303.3, and its sodium salt are readily soluble in water, but the calcium and barium salts are only sparingly soluble. Conversion to 1-hydroxynaphthalene-4,7-disulfonic acid is achieved by reverse-Bucherer reaction or diazotization and hydrolysis. Sulfonation (35 % oleum, 90℃) yields 1-aminonaphthalene-2,4,7-trisulfonic acid.