Basic information
- Standard SMILES
O=S(=O)(O)c1ccc2ccccc2c1O- InChIKey
PWJNDVAKQLOWRZ-UHFFFAOYSA-N- Molecular formula
- C10H8O4S
- Average molar mass
- 224.23 g/mol
- Monoisotopic mass
- 224.01432991
Names & identifiers
- Preferred name
- 1-Hydroxy-2-naphthalenesulfonic acid
- IUPAC
- 1-hydroxynaphthalene-2-sulfonic acid
- English name
- 1-hydroxynaphthalene-2-sulphonic acid
- Molecular formula
- C10H8O4S
- Molecular weight
- 224.23
Names & synonyms
Baum's acid567-18-02-Naphthalenesulfonic acid, 1-hydroxy-1-NAPHTHOL-2-SULFONIC ACID1-Hydroxy-2-naphthalenesulfonic acidKDF25YAO2H1-Hydroxynaphthalene-2-sulphonic acidEINECS 209-303-4DTXSID6060345SCHAEFFER'S .ALPHA.-ACID1-NAPHTHOL-2-SULFONIC ACID [MI]SCHAEFFER'S ALPHA-ACID
Show more names
1-Hydroxy1-NAPHTHOL-2-SULPHONICACID
RefChem:433114DTXCID1042102209-303-41-hydroxynaphthalene-2-sulfonic acidUNII-KDF25YAO2HNaphtholsulfosaureSCHEMBL88069SCHEMBL8645212
Database identifiers
- CAS
567-18-0- PubChem CID
- 11277
- DTXSID
DTXSID6060345- UNII
- KDF25YAO2H
- EC Number
- 209-303-4
- Nikkaji
- J6.522F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Melting point
- 249.85 °C · >249.85°C
- Boiling point
- 335.63 °C · 335.63°C (rough estimate)
- Density
- 1.4643 · 1.4643 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 0.1 · 0.10±0.40(Predicted)
- FDA UNII
- 25 YAO2H · KDF25YAO2H
- EPA Substance Registry System
- 2 · 2-Naphthalenesulfonic acid, 1-hydroxy- (567-18-0)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenesulfonic acid, 1-hydroxy-: INACTIVE
Preparation methods
PreparationThe reaction of 1-naphthol with oleum in the cold yields a mixture of the 2- and 4- sulfonic acids; the former may be separated from the aqueous quenched reaction mixture by salting out the potassium salt after removing unreacted 1-naphthol.
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
2 records
Linked notes
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