Cas no 648905-19-5 (Benzene, 4-bromo-1,2-bis(methylsulfonyl)-)
648905-19-5 structure
Product Name:Benzene, 4-bromo-1,2-bis(methylsulfonyl)-
CAS No:648905-19-5
MF:C8H9BrO4S2
MW:313.18865942955
CID:412866
PubChem ID:68516523
Update Time:2025-04-19
Benzene, 4-bromo-1,2-bis(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 4-bromo-1,2-bis(methylsulfonyl)-
- 4-bromo-1,2-bis(methylsulfonyl)benzene
- 4-Bromo-1,2-di(methanesulfonyl)benzene
- SCHEMBL3112984
- 648905-19-5
- DTXSID20738494
-
- Inchi： 1S/C8H9BrO4S2/c1-14(10,11)7-4-3-6(9)5-8(7)15(2,12)13/h3-5H,1-2H3
- InChI Key： ORJPWVLQWWBGBD-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C(C=1)S(C)(=O)=O)S(C)(=O)=O
Computed Properties
- Exact Mass: 311.91257
- Monoisotopic Mass: 311.91256g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 415
- 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: 1.1
- Topological Polar Surface Area: 85?2
Experimental Properties
- PSA: 68.28
Benzene, 4-bromo-1,2-bis(methylsulfonyl)- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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