Basic information
- CAS
616-85-3- Standard SMILES
O=[N+]([O-])c1cc(S(=O)(=O)O)ccc1O- InChIKey
JBMAUZQHVVHPEL-UHFFFAOYSA-N- Molecular formula
- C6H5NO6S
- Average molar mass
- 219.17 g/mol
- Monoisotopic mass
- 218.98375805
Names & identifiers
- Preferred name
- 4-Hydroxy-3-nitrobenzenesulfonic acid
- IUPAC
- 4-hydroxy-3-nitrobenzenesulfonic acid
- English name
- 4-hydroxy-3-nitrobenzenesulphonic acid
- Molecular formula
- C6H5NO6S
- Molecular weight
- 219.17
Names & synonyms
4-hydroxy-3-nitrobenzenesulfonic acid4-Hydroxy-3-nitrobenzenesulphonic acidbenzenesulfonic acid, 4-hydroxy-3-nitro-S6LGC2WZU2DTXSID302106104-HYDROXY-3-NITROPHENYLSULFONIC ACIDRefChem:99202DTXCID60133101616-85-3EINECS 210-496-24-Sulfo-2-nitrophenol4-hydroxy-3-nitrobenzene-1-sulfonic acid
Show more names
20. 3-Amino-5-nitrobenzoic acid
UNII-S6LGC2WZU2SCHEMBL51033SCHEMBL51034SCHEMBL9621527SCHEMBL11145615JBMAUZQHVVHPEL-UHFFFAOYSA-NSTK371994AKOS005446490
Database identifiers
- CAS
616-85-3- PubChem CID
- 69228
- DTXSID
DTXSID30210610- UNII
- S6LGC2WZU2
- EC Number
- 210-496-2
- Nikkaji
- J28.723G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- FDA UNII
- 6 LGC2WZU2 · S6LGC2WZU2
Chemistry & industry
Applications
UsesUsed as an intermediate for dyes.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers1 total
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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