Basic information
- CAS
3965-53-5- Standard SMILES
COC(=O)c1ccc(S(=O)(=O)c2ccc(C(=O)OC)cc2)cc1- InChIKey
YQYRQRUZQNRJIW-UHFFFAOYSA-N- Molecular formula
- C16H14O6S
- Average molar mass
- 334.3 g/mol
- Monoisotopic mass
- 334.05110934
Names & identifiers
- Preferred name
- Dimethyl 4,4'-sulphonyldibenzoate
- IUPAC
- methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate
- English name
- DIMETHYL DIPHENYL SULFONE 4,4'-DICARBOXYLATE
- Molecular formula
- C16H14O6S
- Molecular weight
- 334.34
Names & synonyms
3965-53-5Dimethyl 4,4'-sulphonyldibenzoate4,4'-Sulfonylbis(methyl benzoate)EINECS 223-577-2DTXSID00192757RefChem:588187Dimethyl 4,4'sulphonyldibenzoateDTXCID40115248Dimethyl diphenyl sulfone 4,4'dicarboxylate223-577-2Dimethyl 4,4'-sulfonyldibenzoatemethyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate
Show more names
LABOTEST-BB LT001595974,4'-Sulfonylbis-(methylbenzoate),90%,tech.4,4'-Sulfonylbis(benzoic acid methyl) ester4,4'-SULFONYLBIS(METHYL BENZOATE), TECH. , 90%
Benzoic acid, 4,4'-sulfonylbis-, dimethyl esterBenzoic acid, 4,4'-sulfonyldi-, dimethyl estermethyl 4-{[4-(methoxycarbonyl)phenyl]sulfonyl}benzoateC16H14O6SHSL8KTX3VADimethyl diphenyl sulfone 4,4'-dicarboxylateSCHEMBL68518SBB057227
Database identifiers
- CAS
3965-53-5- PubChem CID
- 77583
- DTXSID
DTXSID00192757- UNII
- HSL8KTX3VA
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 477
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Benzenesulfonic Acid Derivatives
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 195 · 195-196 °C(lit.)
- Boiling point
- 441.15 °C · 441.15°C (rough estimate)
- Density
- 1.3994 · 1.3994 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- CAS DataBase Reference
- 3965 · 3965-53-5
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Dapsone.
Safety data
- wgk
- 3
- safety_code
- 24/25
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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