Cas no 7464-60-0 (1,3-Benzenediol,1,3-bis(4-methylbenzenesulfonate))
7464-60-0 structure
Product Name:1,3-Benzenediol,1,3-bis(4-methylbenzenesulfonate)
CAS No:7464-60-0
MF:C20H18O6S2
MW:418.483323574066
CID:575663
PubChem ID:346078
Update Time:2025-04-19
1,3-Benzenediol,1,3-bis(4-methylbenzenesulfonate) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol,1,3-bis(4-methylbenzenesulfonate)
- [3-(4-methylphenyl)sulfonyloxyphenyl] 4-methylbenzenesulfonate
- 1,3-bis-(toluene-4-sulfonyloxy)-benzene
- 1,3-Bis-(toluol-4-sulfonyloxy)-benzol
- 1,3-phenylene bistosylate
- AC1L846K
- Ambcb7054814
- benzene-1,3-diol bis(4-methylbenzenesulfonate)
- ditosylate of resorcinol
- NSC404100
- Resorcin-di-(p-tosylat)
- Resorcinol, di-p-toluene-sulfonate
- 1,3-Bis(tosyloxy)benzene
- DTXSID70323490
- [3-(p-tolylsulfonyloxy)phenyl] 4-methylbenzenesulfonate
- 7464-60-0
- NSC-404100
-
- Inchi： 1S/C20H18O6S2/c1-15-6-10-19(11-7-15)27(21,22)25-17-4-3-5-18(14-17)26-28(23,24)20-12-8-16(2)9-13-20/h3-14H,1-2H3
- InChI Key： TUQJPGPHFOXOIA-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)OC1C=CC=C(C=1)OS(C1C=CC(C)=CC=1)(=O)=O
Computed Properties
- Exact Mass: 418.05454
- 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: 593.8°C at 760 mmHg
- Flash Point: 312.9°C
- Refractive Index: 1.605
- PSA: 86.74
- LogP: 6.00040
1,3-Benzenediol,1,3-bis(4-methylbenzenesulfonate) Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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