Basic information
- CAS
85-74-5- Standard SMILES
Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)ccc12- InChIKey
JSBQMQFABBMNSV-UHFFFAOYSA-N- Molecular formula
- C10H9NO6S2
- Average molar mass
- 303.3 g/mol
- Monoisotopic mass
- 302.98712935
Names & identifiers
- Preferred name
- 1-Naphthylamine-4,6-disulfonic acid
- IUPAC
- 4-aminonaphthalene-1,7-disulfonic acid
- English name
- 4-aminonaphthalene-1,7-disulfonic acid
- Molecular formula
- C10H9NO6S2
- Molecular weight
- 303.31
Names & synonyms
85-74-51-Naphthylamine-4,6-disulfonic acid1,7-Naphthalenedisulfonic acid, 4-amino-Dahl's acid II4-AMINO-1,7-NAPHTHALENEDISULFONIC ACID9E1X0Z1F66EINECS 201-629-5DTXSID10589291-NAPHTHYLAMINE-4,6-DISULFONIC ACID [MI]RefChem:435041DTXCID20484564-aminonaphthalene-1,7-disulfonic acid
Show more names
DAHLSACIDII4-azanylnaphthalene-1,7-disulfonic acid
UNII-9E1X0Z1F664-Aminonaphthalene-1,7-disulphonic acidSCHEMBL1807547SCHEMBL1807549SCHEMBL30460486JSBQMQFABBMNSV-UHFFFAOYSA-NAKOS024335735DB-229063
Database identifiers
- CAS
85-74-5- PubChem CID
- 66566
- DTXSID
DTXSID1058929- UNII
- 9E1X0Z1F66
- EC Number
- 201-629-5
- Nikkaji
- J4.924G
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 152 Ų
- 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)
- pka
- -0.84 · -0.84±0.40(Predicted)
- FDA UNII
- 9 E1X0Z1F66 · 9E1X0Z1F66
- EPA Substance Registry System
- 1 · 1,7-Naphthalenedisulfonic acid, 4-amino- (85-74-5)
- RIDADR
- 1759 · 1759
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- ridadr
- 1759
- hazard_class
- 8
- packing_group
- III
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,7-Naphthalenedisulfonic acid, 4-amino-: INACTIVE
Applications
Description1-Aminonaphthalene-4,6-disulfonic acid [85-74-5]. (4-aminonaphthalene-1,7-disulfonic acid), Dahl’s acid II, C10H9NO6S2, Mr 303.3, and its alkali-metal salts are soluble in water; the calcium salt is soluble in aqueous ethanol. Caustic fusion at 180℃ yields 1-amino-6-hydroxynaphthalene-4-sulfonic acid, but at higher temperature 4,7-dihydroxynaphthalene1-sulfonic acid is formed. Sulfonation with 35 % oleum at 80℃ gives 1-aminonaphthalene-2,4,6-trisulfonic acid.
Preparation methods
PreparationNaphthionic acid is sulfonated with 25 % oleum at 20℃ to give a 70 : 30 mixture of 1,4,7- and 1,4,6-trisulfonic acids, which is used as mixed Dahl’s acids.
Upstream & downstream products
Downstream products
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
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Compound notes
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