Basic information
- CAS
68368-40-1- Standard SMILES
Cc1c(Cl)cc(S(=O)(=O)O)c([N+](=O)[O-])c1Cl- InChIKey
ABQUUVRUHRHFHR-UHFFFAOYSA-N- Molecular formula
- C7H5Cl2NO5S
- Average molar mass
- 286.09 g/mol
- Monoisotopic mass
- 284.92654862
Names & identifiers
- Preferred name
- 3,5-Dichloro-4-methyl-2-nitrobenzenesulfonic acid
- IUPAC
- 3,5-dichloro-4-methyl-2-nitrobenzenesulfonic acid
- English name
- 2,6-dichloro-3-nitrotoluene-4-sulphonic acid
- Molecular formula
- C7H5Cl2NO5S
- Molecular weight
- 286.09
Names & synonyms
3,5-dichloro-4-methyl-2-nitrobenzenesulfonic acid2,6-Dichloro-3-nitrotoluene-4-sulphonic acidBenzenesulfonic acid, 3,5-dichloro-4-methyl-2-nitro-RPQ5BW6MPZDTXSID60714512,6-Dichloro-3-nitrotoluene-4-sulfonic acid3,5-DICHLORO-4-METHYL-2-NITROBENZENESULPHONIC ACIDBENZENESULPHONIC ACID, 3,5-DICHLORO-4-METHYL-2-NITRO-RefChem:91474DTXCID104590868368-40-1EINECS 269-871-4
Show more names
UNII-RPQ5BW6MPZ3,5-Dichloro-4-methyl-2-nitrobenzene-1-sulfonic acidABQUUVRUHRHFHR-UHFFFAOYSA-NNS00036557
Database identifiers
- CAS
68368-40-1- PubChem CID
- 110080
- DTXSID
DTXSID6071451- UNII
- RPQ5BW6MPZ
- EC Number
- 269-871-4
- Nikkaji
- J349.372E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- FDA UNII
- 5 BW6MPZ · RPQ5BW6MPZ
- EPA Substance Registry System
- 3 · Benzenesulfonic acid, 3,5-dichloro-4-methyl-2-nitro- (68368-40-1)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 3,5-dichloro-4-methyl-2-nitro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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