Benzenesulfonic acid, 5-chloro-2,4-dinitro-
Basic information
- CAS
56961-56-9- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1Cl- InChIKey
CMKHZJCLDSYCNP-UHFFFAOYSA-N- Molecular formula
- C6H3ClN2O7S
- Average molar mass
- 282.62 g/mol
- Monoisotopic mass
- 281.9349493
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 5-chloro-2,4-dinitro-
- IUPAC
- 5-chloro-2,4-dinitrobenzenesulfonic acid
- English name
- 5-chloro-2,4-dinitrobenzenesulphonic acid
- Molecular formula
- C6H3ClN2O7S
- Molecular weight
- 282.61522
Names & synonyms
56961-56-9Benzenesulfonic acid, 5-chloro-2,4-dinitro-EINECS 260-472-0DTXSID8069145RefChem:564709DTXCID20421455-Chloro-2,4-dinitrobenzenesulphonic acid5-Chloro-2,4-dinitrobenzene-1-sulfonic acidCMKHZJCLDSYCNP-UHFFFAOYSA-NDB-306508NS000336135-Chloro-2,4-dinitrobenzenesulfonic acid
Database identifiers
- CAS
56961-56-9- PubChem CID
- 92594
- DTXSID
DTXSID8069145- EC Number
- 260-472-0
- Nikkaji
- J168.480I
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
Physicochemical properties
- EPA Substance Registry System
- 5 · Benzenesulfonic acid, 5-chloro-2,4-dinitro- (56961-56-9)
- 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 InformationBenzenesulfonic acid, 5-chloro-2,4-dinitro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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