Cas no 26841-13-4 (1,3-Benzenedisulfonicacid, 1,3-bis(4-methylphenyl) ester)
26841-13-4 structure
Product Name:1,3-Benzenedisulfonicacid, 1,3-bis(4-methylphenyl) ester
CAS No:26841-13-4
MF:C20H18O6S2
MW:418.483323574066
CID:262779
PubChem ID:257652
Update Time:2025-04-19
1,3-Benzenedisulfonicacid, 1,3-bis(4-methylphenyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedisulfonicacid, 1,3-bis(4-methylphenyl) ester
- bis(4-methylphenyl) benzene-1,3-disulfonate
- AC1L5X8K
- AC1Q6XZ4
- AG-K-10080
- AR-1I0352
- CTK4F8605
- NSC86035
- NSC-86035
- 26841-13-4
- 1,3-BIS(4-METHYLPHENYL) BENZENE-1,3-DISULFONATE
- AKOS021983189
- DTXSID70292839
-
- Inchi： 1S/C20H18O6S2/c1-15-6-10-17(11-7-15)25-27(21,22)19-4-3-5-20(14-19)28(23,24)26-18-12-8-16(2)9-13-18/h3-14H,1-2H3
- InChI Key： OZCZQBHRVXLKGD-UHFFFAOYSA-N
- SMILES： S(C1C=CC=C(C=1)S(=O)(=O)OC1C=CC(C)=CC=1)(=O)(=O)OC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 418.05400
- Monoisotopic Mass: 418.054
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 6
- Complexity: 630
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 104?2
Experimental Properties
- Density: 1.352
- Boiling Point: 609.6°Cat760mmHg
- Flash Point: 322.5°C
- Refractive Index: 1.605
- PSA: 103.50000
- LogP: 6.00040
1,3-Benzenedisulfonicacid, 1,3-bis(4-methylphenyl) ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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