Basic information
- CAS
68516-57-4- Standard SMILES
O=[N+]([O-])c1ccc2cc(O)cc(S(=O)(=O)O)c2c1- InChIKey
ZLQRTXWMPHELNM-UHFFFAOYSA-N- Molecular formula
- C10H7NO6S
- Average molar mass
- 269.23 g/mol
- Monoisotopic mass
- 268.99940812
Names & identifiers
- Preferred name
- 1-Naphthalenesulfonic acid, 3-hydroxy-7-nitro-
- IUPAC
- 3-hydroxy-7-nitronaphthalene-1-sulfonic acid
- English name
- 3-hydroxy-7-nitronaphthalenesulphonic acid
- Molecular formula
- C10H7NO6S
- Molecular weight
- 269.23
Names & synonyms
1-Naphthalenesulfonic acid, 3-hydroxy-7-nitro-68516-57-4EINECS 271-163-52-Nitro-6-naphthol-8-sulfonic acidDTXSID6071586RefChem:434855DTXCID60460523-hydroxy-7-nitronaphthalene-1-sulfonic acid3-Hydroxy-7-nitronaphthalenesulphonic acid3-Hydroxy-7-nitro-1-naphthalenesulfonic acidASS3G8QMA7SCHEMBL2928529
Show more names
SCHEMBL7046775ZLQRTXWMPHELNM-UHFFFAOYSA-NNS00036623
Database identifiers
- CAS
68516-57-4- PubChem CID
- 110415
- DTXSID
DTXSID6071586- UNII
- ASS3G8QMA7
- EC Number
- 271-163-5
- Nikkaji
- J40.557D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Naphthalenesulfonic acid, 3-hydroxy-7-nitro- (68516-57-4)
- 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, 3-hydroxy-7-nitro-: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…