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N2,N7-diphenyl-9-oxo-9H-2,7-fluorenedisulfonamide

HCID 980967
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Basic information

CAS
304686-19-9
Standard SMILES
O=C1c2cc(S(=O)(=O)Nc3ccccc3)ccc2-c2ccc(S(=O)(=O)Nc3ccccc3)cc21
InChIKey
QSWNEFHTPKDCPR-UHFFFAOYSA-N
Molecular formula
C25H18N2O5S2
Average molar mass
490.6 g/mol
Monoisotopic mass
490.06571403

Names & identifiers

Preferred name
N2,N7-diphenyl-9-oxo-9H-2,7-fluorenedisulfonamide
IUPAC
9-oxo-2-N,7-N-diphenylfluorene-2,7-disulfonamide
English name
9-oxo-N2,N7-diphenyl-9H-fluorene-2,7-disulfonamide
Molecular formula
C25H18N2O5S2
Molecular weight
490.55

Names & synonyms

304686-19-9N2,N7-diphenyl-9-oxo-9H-2,7-fluorenedisulfonamide9-oxo-N2,N7-diphenyl-9H-fluorene-2,7-disulfonamideF1345-00749-oxo-N~2~,N~7~-diphenyl-9H-fluorene-2,7-disulfonamideOprea1_430668Oprea1_7786309-oxo-2-N,7-N-diphenylfluorene-2,7-disulfonamide9-Oxo-9H-fluorene-2,7-disulfonic acid bis-phenylamideSCHEMBL20302800SMSSF-0067005AKOS000577059
Show more names
9H-Fluorene-2,7-disulfonamide, 9-oxo-N2,N7-diphenyl-
2,7-bis(anilinosulfonyl)-9-fluorenoneCCG-104077EU-0068341ST502187812,7-bis[(phenylamino)sulfonyl]fluoren-9-oneAS-871/33864038

Database identifiers

CAS
304686-19-9
PubChem CID
980967
EC Number
151-596-5

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
126 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
34
Formal charge
0
Complexity
867

Physicochemical properties

Boiling point
749.9 · 749.9±70.0 °C(Predicted)
Density
1.518 · 1.518±0.06 g/cm3(Predicted)
pka
7.14 · 7.14±0.20(Predicted)

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 · 4 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Sens. 1 (100%)

Related reactions

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Compound notes

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