3,3',4,4'-Diphenyl sulfone tetracarboxylic dianhydride
Basic information
- CAS
2540-99-0- Standard SMILES
O=C1OC(=O)c2cc(S(=O)(=O)c3ccc4c(c3)C(=O)OC4=O)ccc21- InChIKey
ZHBXLZQQVCDGPA-UHFFFAOYSA-N- Molecular formula
- C16H6O8S
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 357.97833815
Names & identifiers
- Preferred name
- 3,3',4,4'-Diphenyl sulfone tetracarboxylic dianhydride
- IUPAC
- 5-[(1,3-dioxo-2-benzofuran-5-yl)sulfonyl]-2-benzofuran-1,3-dione
- English name
- 3,3,4,4-diphenylsulfonetetracarboxylicdianhydride
- Molecular formula
- C16H6O8S
- Molecular weight
- 358.28
Names & synonyms
2540-99-01,3-Isobenzofurandione, 5,5'-sulfonylbis-DTXSID0073299RefChem:484840DTXCID90372963,3',4,4'-Diphenyl sulfone tetracarboxylic dianhydride807-101-65,5'-Sulfonylbis(isobenzofuran-1,3-dione)3,3',4,4'-Diphenylsulfonetetracarboxylic dianhydrideMFCD000391454,4'-Sulfonyldiphthalic dianhydride5-[(1,3-dioxo-2-benzofuran-5-yl)sulfonyl]-2-benzofuran-1,3-dione
Show more names
SO2DPA5,5'-Sulfonylbis-1,3-isobenzofurandione5,5'-sulfonylbis(2-benzofuran-1,3-dione)diphenylsulfonetetracarboxylicdianhydride
4,4'-Sulfonyldiphthalic AnhydrideBis-(3-phthalyl anhydride) sulfoneNSC6894165-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)sulfonyl]-1,3-dihydro-2-benzofuran-1,3-dione3,3,4,4-diphenylsulfonetetracarboxylicdianhydride (DSDA)5-(1,3-dioxoisobenzofuran-5-yl)sulfonylisobenzofuran-1,3-dione3,3',4,4'-Diphenylsulfonetetracarboxylic Dianhydride (purified by sublimation)DSDA
Database identifiers
- CAS
2540-99-0- PubChem CID
- 75682
- DTXSID
DTXSID0073299- ChEMBL
CHEMBL2007526- EC Number
- 807-101-6
- Nikkaji
- J64.484F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 705
Physicochemical properties
- Melting point
- 283 °C · 283 °C
- Boiling point
- 718.5 · 718.5±45.0 °C(Predicted)
- Density
- 1.755 · 1.755±0.06 g/cm3(Predicted)
- vapor pressure
- 0 · 0-0Pa at 20-50℃
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Powder
- InChI
- InChI=1S/C16H6O8S/c17-13-9-3-1-7(5-11(9)15(19)23-13)25(21,22)8-2-4-10-12(6-8)16(20)24-14(10)18/h1-6H
- InChIKey
- ZHBXLZQQVCDGPA-UHFFFAOYSA-N
- SMILES
- S(C1C=CC2C(=O)OC(=O)C=2C=1)(C1C=CC2C(=O)OC(=O)C=2C=1)(=O)=O
- CAS DataBase Reference
- 2540 · 2540-99-0
- NIST Chemistry Reference
- Bis-(3-phthalyl anhydride) sulfone(2540-99-0)
- EPA Substance Registry System
- 1 · 1,3-Isobenzofurandione, 5,5'-sulfonylbis- (2540-99-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 02-11-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16582
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- hs_code
- 2917.39.7000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3,3',4,4'-Diphenylsulfonetetracarboxylic dianhydride is a novel class of human immunodeficiency virus type 1 integrase inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1 records
Compound notes
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