Basic information
- CAS
117-56-6- Standard SMILES
O=S(=O)(O)c1ccc(O)c2c(S(=O)(=O)O)cccc12- InChIKey
XIQKALDENTUXBY-UHFFFAOYSA-N- Molecular formula
- C10H8O7S2
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 303.97114494
Names & identifiers
- Preferred name
- 1-Naphthol-4,8-disulfonic acid
- IUPAC
- 4-hydroxynaphthalene-1,5-disulfonic acid
- English name
- 4-hydroxynaphthalene-1,5-disulphonic acid
- Molecular formula
- C10H8O7S2
- Molecular weight
- 304.3
Names & synonyms
1-Naphthol-4,8-disulfonic acid117-56-6Schollkopf's acidSchoellkopf's acidUNII-L6O8AVH6FUL6O8AVH6FU4-Hydroxy-1,5-naphthalenedisulfonic acid.alpha.-Naphtholdisulfonic acid SNSC-8629EINECS 204-197-6.alpha.-Naphthol-4,8-disulfonic acidDTXSID30151655
Show more names
α-Naphtholdisulfonic acid S8-Hydroxy-1,5-naphthalenedisulfonic acid4-hydroxynaphthalene-1,5-disulfonic acid4-hydroxynaphthalene-1,5-disulphonic acid1,5-Naphthalenedisulfonic acid, 4-hydroxy-
NSC 86291-hydroxynaphthalene-4,8-disulfonic acid1-NAPHTHOL-4,8-DISULFONIC ACID [MI]alpha-naphtholdisulfonic acid SRefChem:76533DTXCID4074146ALPHA-NAPHTHOL-4,8-DISULFONIC ACID204-197-6
Database identifiers
- CAS
117-56-6- PubChem CID
- 67023
- DTXSID
DTXSID30151655- UNII
- L6O8AVH6FU
- EC Number
- 204-197-6
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 527
Physicochemical properties
- Density
- 1.816 · 1.816±0.06 g/cm3(Predicted)
- pka
- -0.42 · -0.42±0.40(Predicted)
- FDA UNII
- 6 O8AVH6FU · L6O8AVH6FU
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers2 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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