Cas no 32527-15-4 (2,4-Hexadiyne-1,6-diol,1,6-bis(4-methylbenzenesulfonate))
32527-15-4 structure
Product Name:2,4-Hexadiyne-1,6-diol,1,6-bis(4-methylbenzenesulfonate)
CAS No:32527-15-4
MF:C20H18O6S2
MW:418.483323574066
CID:322430
PubChem ID:36155
Update Time:2025-04-19
2,4-Hexadiyne-1,6-diol,1,6-bis(4-methylbenzenesulfonate) Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexadiyne-1,6-diol,1,6-bis(4-methylbenzenesulfonate)
- 6-(4-methylphenyl)sulfonyloxyhexa-2,4-diynyl 4-methylbenzenesulfonate
- 2,4-Hexadiyn-1,6-bis-p-toluenesulfonate
- 2,4-Hexadiyne-1,6-diol, bis(4-methylbenzenesulfonate)
- 2,4-Hexadiyne-1,6-diol, di-p-toluenesulfonate
- BRN 2188611
- hexa-2,4-diyne-1,6-diyl bis(4-methylbenzenesulfonate)
- Hexa-2,4-diyne-1,6-diyl bis(4-methylbenzenesulphonate)
- 32527-15-4
- 4-11-00-00318 (Beilstein Handbook Reference)
- NS00029291
- 2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate)
- SCHEMBL542839
- 2.4-Hexadiin-1.6-diol-bis-p-toluolsulfonat
- DTXSID9067693
- EINECS 251-082-1
-
- Inchi： 1S/C20H18O6S2/c1-17-7-11-19(12-8-17)27(21,22)25-15-5-3-4-6-16-26-28(23,24)20-13-9-18(2)10-14-20/h7-14H,15-16H2,1-2H3
- InChI Key： DXMVSZQXZAMXJA-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)OCC#CC#CCOS(C1C=CC(C)=CC=1)(=O)=O
Computed Properties
- Exact Mass: 418.05454
- Monoisotopic Mass: 418.05448064g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 7
- Complexity: 762
- 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: 3.4
- Topological Polar Surface Area: 104?2
Experimental Properties
- Density: 1.3472 (rough estimate)
- Boiling Point: 506.24°C (rough estimate)
- Refractive Index: 1.6950 (estimate)
- PSA: 86.74
2,4-Hexadiyne-1,6-diol,1,6-bis(4-methylbenzenesulfonate) Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
32527-15-4 (2,4-Hexadiyne-1,6-diol,1,6-bis(4-methylbenzenesulfonate)) Related Products
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