Benzenesulfonic acid, 4-methyl-3,5-dinitro-
Basic information
- CAS
74543-18-3- Standard SMILES
Cc1c([N+](=O)[O-])cc(S(=O)(=O)O)cc1[N+](=O)[O-]- InChIKey
SWBCSBNHMVLMKP-UHFFFAOYSA-N- Molecular formula
- C7H6N2O7S
- Average molar mass
- 262.2 g/mol
- Monoisotopic mass
- 261.98957171
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-methyl-3,5-dinitro-
- IUPAC
- 4-methyl-3,5-dinitrobenzenesulfonic acid
- English name
- 2,6-DINITROTOLUENE-4-SULFONIC ACID
- Molecular formula
- C7H6N2O7S
- Molecular weight
- 262.2
Names & synonyms
88-90-43,5-Dinitro-p-toluenesulfonic acidBenzenesulfonic acid, 4-methyl-3,5-dinitro-EINECS 201-866-4DTXSID1058979RefChem:564664DTXCID10486272,6-Dinitrotoluene-4-sulfonic acid4-methyl-3,5-dinitrobenzenesulfonic acid74543-18-3Benzenesulfonic acid,4-methyl-3,5-dinitro-2,6-Dinitro-p-toluenesulphonic acid
Show more names
4-methyl-3,5-dinitro-benzenesulfonicaci3,5-DINITRO-4-METHYLBENZENE SULFONIC ACID3,5-Dinitro-4-methylbenzenesulfonic acid 3,5-Dinitro-p-toluenesulfonic acid 4-Methyl-3,5-dinitrobenzenesulfonic acid
4-methyl-3,5-dinitrobenzene-1-sulfonic acidSCHEMBL7513754SWBCSBNHMVLMKP-UHFFFAOYSA-NDB-025797NS00039296H51187
Database identifiers
- CAS
74543-18-3、88-90-4- PubChem CID
- 66626
- DTXSID
DTXSID1058979- EC Number
- 201-866-4
- Nikkaji
- J182.055I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- CAS DataBase Reference
- 88 · 88-90-4
- EPA Substance Registry System
- 4 · Benzenesulfonic acid, 4-methyl-3,5-dinitro- (88-90-4)
- 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 InformationBenzenesulfonic acid, 4-methyl-3,5-dinitro-: INACTIVE
Applications
UsesReduction of 2,6-Dinitrotoluene-4-sulfonic Acid with sulfide gives 2- amino-6-nitrotoluene-4-sulfonic acid, and reduction with iron – acid gives 2,6-diaminotoluene-4-sulfonic acid [98-25-9]. 2,6-Dinitrotoluene-4-sulfonyl chloride [80198-19-2] is obtained from 2,6-Dinitrotoluene-4-sulfonic Acid by treatment with thionyl chloride. Reaction of this sulfonyl chloride with an alkylamine followed by hydrogenation leads to a readily accessible series of symmetrical diaminotoluenesulfonamides.
Upstream & downstream products
Upstream raw materials
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