Basic information
- CAS
6259-66-1- Standard SMILES
O=S(=O)(O)c1cc(S(=O)(=O)O)c2cc(O)c(S(=O)(=O)O)cc2c1- InChIKey
ANYNWDCUWOSEFH-UHFFFAOYSA-N- Molecular formula
- C10H8O10S3
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 383.92795997
Names & identifiers
- Preferred name
- 2-Naphthol-3,6,8-trisulfonic acid
- IUPAC
- 7-hydroxynaphthalene-1,3,6-trisulfonic acid
- English name
- 2,Naphthol-3,6,8-trisulfonic acid
- Molecular formula
- C10H8O10S3
- Molecular weight
- 384.36
Names & synonyms
6259-66-12-Naphthol-3,6,8-trisulfonic acidUNII-2CXX7DB88J2CXX7DB88JEINECS 228-407-01,3,6-Naphthalenetrisulfonic acid, 7-hydroxy-DTXSID902116287-HYDROXY-1,3,6-NAPHTHALENETRISULFONIC ACID2-HYDROXY-3,6,8-NAPHTHALENETRISULFONIC ACIDRefChem:88635DTXCID20134119228-407-0
Show more names
7-Hydroxynaphthalin-1,3,6-trisulfonsure7-Hydroxy-1,3,6-naphthalenedisulfonicacid2-Hydroxynaphthalene-3,6,8-trisulfonic acid7-hydroxynaphthalene-1,3-6-trisulfonic acid
7-hydroxynaphthalene-1,3,6-trisulfonic acid2,NAPHTHOL-3,6,8-TRISULFONIC ACID7-Hydroxynaphthalene-1,3,6-trisulphonic acidCBDivE_002858CBDivE_006467SCHEMBL2989602SCHEMBL11143404SCHEMBL31615025
Database identifiers
- CAS
6259-66-1- PubChem CID
- 80419
- DTXSID
DTXSID90211628- UNII
- 2CXX7DB88J
- EC Number
- 228-407-0
- Nikkaji
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 751
Physicochemical properties
- Density
- 2.019 · 2.019±0.06 g/cm3(Predicted)
- pka
- -0.67 · -0.67±0.40(Predicted)
- FDA UNII
- 2 CXX7DB88J · 2CXX7DB88J
Chemistry & industry
Applications
UsesThe acid is used as an azo coupling component in, e.g., C.I. Solvent Red 31.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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