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CAS Number: 3965-53-5
dimethyl 4,4'-sulfonyldibenzoate

Structure

dimethyl 4,4'-sulfonyldibenzoate
Name: dimethyl 4,4'-sulfonyldibenzoate
Synonyms:
General Information
Product Number: 3965535
CAS Registry Number:
3965-53-5
Name:
Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dimethyl ester
Benzoic acid, 4,4'-sulfonylbis-, dimethyl ester (9CI); Benzoic acid, 4,4'-sulfonyldi-, dimethyl ester (6CI,7CI,8CI); Dimethyl 4,4'-diphenyl sulfone dicarboxylate; Dimethyl 4,4'-sulfonyldibenzoate
 
Chemical Formula: C16H14O6S
Exact Mass: 334.05
Molecular Weight: 334.34
m/z: 334.05 (100.0%), 335.05 (18.1%), 336.05 (4.7%), 336.06 (2.7%)
Elemental Analysis: C, 57.48; H, 4.22; O, 28.71; S, 9.59
 
InChI: InChI=1S/C16H14O6S/c1-21-15(17)11-3-7-13(8-4-11)23(19,20)14-9-5-12(6-10-14)16(18)22-2/h3-10H,1-2H3
InChIKey: YQYRQRUZQNRJIW-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC
 
Thermal Properties Value Condition Note
Melting Point 193 °C   (5)CAS
Melting Point 192-192.5 °C Solv: ethanol (64-17-5) (4)IC

Specification

98%

References

  • (4) Brinon, M. C.; Bulletin des Societes Chimiques Belges 1987, V96(1), P41-50 CAPLUS
  • (5) Adamek, Milan; Sbornik ved. praci, Vysoka skola chem.-technol. Pardubice 1960, (No. 2), P87-91 CAPLUS
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