3,3',4,4'-Diphenyl sulfone tetracarboxylic dianhydride

HCID 75682CAS 2540-99-0
Substructure searchFind similar structures

Basic information

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

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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