Basic information
- CAS
5465-75-8- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2c([N+](=O)[O-])cc(C)cc2[N+](=O)[O-])cc1- InChIKey
LGWABQLVZMOIMO-UHFFFAOYSA-N- Molecular formula
- C14H12N2O7S
- Average molar mass
- 352.32 g/mol
- Monoisotopic mass
- 352.0365219
Overview
See other relationships...
Names & identifiers
- Preferred name
- (4-Methyl-2,6-dinitrophenyl) 4-methylbenzenesulfonate
- IUPAC
- (4-methyl-2,6-dinitrophenyl) 4-methylbenzenesulfonate
- English name
- Phenol,4-methyl-2,6-dinitro-, 1-(4-methylbenzenesulfonate)
- Molecular formula
- C14H12N2O7S
- Molecular weight
- 352.31928
Names & synonyms
5465-75-8(4-methyl-2,6-dinitrophenyl) 4-methylbenzenesulfonate4-methyl-2,6-dinitrophenyl 4-methylbenzenesulfonateNSC25837DTXSID80282428NSC-25837AKOS0244270364-Methyl-2,6-dinitrophenyl 4-methylbenzene-1-sulfonateTOLUENE-4-SULFONIC ACID 4-METHYL-2,6-DINITRO-PHENYL ESTERPhenol,4-methyl-2,6-dinitro-, 1-(4-methylbenzenesulfonate)
Database identifiers
- CAS
5465-75-8- PubChem CID
- 230697
- DTXSID
DTXSID80282428
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 545
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…