Benzenesulfonic acid, 2,4,6-trimethyl-3,5-dinitro-
Basic information
- CAS
33144-12-6- Standard SMILES
Cc1c([N+](=O)[O-])c(C)c(S(=O)(=O)O)c(C)c1[N+](=O)[O-]- InChIKey
RGNRSPQQRBBORA-UHFFFAOYSA-N- Molecular formula
- C9H10N2O7S
- Average molar mass
- 290.25 g/mol
- Monoisotopic mass
- 290.02087184
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 2,4,6-trimethyl-3,5-dinitro-
- IUPAC
- 2,4,6-trimethyl-3,5-dinitrobenzenesulfonic acid
- English name
- 4,6-dinitromesitylene-2-sulphonic acid
- Molecular formula
- C9H10N2O7S
- Molecular weight
- 290.2499
Names & synonyms
33144-12-6Dinitromesitylenesulfonic acidBenzenesulfonic acid, 2,4,6-trimethyl-3,5-dinitro-EINECS 251-392-7DTXSID2067749RefChem:564062DTXCID30386404,6-Dinitromesitylene-2-sulphonic acid2,4,6-trimethyl-3,5-dinitrobenzenesulfonic acid2,4,6-Trimethyl-3,5-dinitrobenzene-1-sulfonic acid74SNC88BF8SCHEMBL7821939
Show more names
3,5-Dinitro-2,4,6-trimethylbenzenesulfonic acid
RGNRSPQQRBBORA-UHFFFAOYSA-NNS000294262,4,6-trimethyl-3,5-dinitro-benzenesulfonic acid2,4-Dinitro-1,3,5-trimethylbenzene-6-sulfonic acid
Database identifiers
- CAS
33144-12-6- PubChem CID
- 118403
- DTXSID
DTXSID2067749- UNII
- 74SNC88BF8
- EC Number
- 251-392-7
- Nikkaji
- J168.360H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzenesulfonic acid, 2,4,6-trimethyl-3,5-dinitro- (33144-12-6)
- 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, 2,4,6-trimethyl-3,5-dinitro-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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