Basic information
- CAS
83-65-8- Standard SMILES
O=S(=O)(O)c1ccc(O)c2c(O)cccc12- InChIKey
DBTLNKQGKRKJBT-UHFFFAOYSA-N- Molecular formula
- C10H8O5S
- Average molar mass
- 240.23 g/mol
- Monoisotopic mass
- 240.00924453
Names & identifiers
- Preferred name
- 1-Naphthalenesulfonic acid, 4,5-dihydroxy-
- IUPAC
- 4,5-dihydroxynaphthalene-1-sulfonic acid
- English name
- 4,5-dihydroxynaphthalene-1-sulphonic acid
- Molecular formula
- C10H8O5S
- Molecular weight
- 240.23
Names & synonyms
4,5-Dihydroxy-1-naphthalenesulfonic acid83-65-81,8-Dihydroxynaphthalene-4-sulfonic acidEINECS 201-492-11-Naphthalenesulfonic acid, 4,5-dihydroxy-DTXSID6058897RefChem:434862DTXCID10483364,5-dihydroxynaphthalene-1-sulfonic acid4,5-Dihydroxynaphthalene-1-sulphonic acidJ6K8C53FQ6SCHEMBL1413174
Show more names
4,5dihydroxynaphthalene-1-sulfonic acid
SCHEMBL29817449DBTLNKQGKRKJBT-UHFFFAOYSA-N1,8-dihydroxynaphthalene-4-sulphonic acidNS00038268
Database identifiers
- CAS
83-65-8- PubChem CID
- 66523
- DTXSID
DTXSID6058897- UNII
- J6K8C53FQ6
- EC Number
- 201-492-1
- Nikkaji
- J192.610A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Density
- 1.677 · 1.677±0.06 g/cm3(Predicted)
- pka
- 0.82 · 0.82±0.40(Predicted)
- EPA Substance Registry System
- 4 · 4,5-Dihydroxy-1-naphthalenesulfonic acid (83-65-8)
- TSCA
- TSCA listed
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
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Naphthalenesulfonic acid, 4,5-dihydroxy-: INACTIVE
Applications
Description4,5-Dihydroxynaphthalene-1-sulfonic acid [83-65-8]. (1,8-dihydroxynaphthalene-4- sulfonic acid), dioxy Chicago acid, dioxy S acid, C10H8O5S, Mr 240.2, is sparingly soluble in water, but the sodium salt is readily soluble. Heating with dilute sulfuric acid at 150℃ gives 1,8-dihydroxynaphthalene.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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