2-Chloro-3,5-dinitrobenzenesulphonic acid
Basic information
- CAS
4515-26-8- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)O)c1- InChIKey
ODEUZCDONYETMV-UHFFFAOYSA-N- Molecular formula
- C6H3ClN2O7S
- Average molar mass
- 282.62 g/mol
- Monoisotopic mass
- 281.9349493
Names & identifiers
- Preferred name
- 2-Chloro-3,5-dinitrobenzenesulphonic acid
- IUPAC
- 2-chloro-3,5-dinitrobenzenesulfonic acid
- English name
- 2,4-Dinitrochlorobenzene-6-sulfonic acid
- Molecular formula
- C6H3ClN2O7S
- Molecular weight
- 282.62
Names & synonyms
4515-26-82-chloro-3,5-dinitrobenzenesulfonic acid2-Chloro-3,5-dinitrobenzenesulphonic acidEINECS 224-839-92-chloro-3,5-dinitrobenzene-1-sulfonic acidSCHEMBL8065807SCHEMBL11743092DTXSID30196405ODEUZCDONYETMV-UHFFFAOYSA-NDB-051271NS000314912-CHLORO-3,5-DINITROBENZENESULFONIC ACID, PRACT
Show more names
2,4-Dinitrochlorobenzene-6-sulfonic acid
Database identifiers
- CAS
4515-26-8- PubChem CID
- 78272
- DTXSID
DTXSID30196405- EC Number
- 224-839-9
- Nikkaji
- J168.490F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 421
Chemistry & industry
Applications
UsesHydrolysis of 2-Chloro-3,5-dinitrobenzenesulfonic Acid with aqueous alkali readily yields 2,4-dinitrophenol-6-sulfonic acid, which is reduced with sodium sulfide to 4-nitro- 2-aminophenol-6-sulfonic acid [96-67-3], a diazo component of metallizable azo dyes. Under very mild conditions, 2-Chloro-3,5-dinitrobenzenesulfonic Acid is aminated to 2,4-dinitroaniline-6-sulfonic acid, and 2-Chloro-3,5-dinitrobenzenesulfonic Acid reacts with sodium sulfite to give 3,5-dinitrobenzene- 1,2-disulfonic acid.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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