Cas no 67412-61-7 (1,1'-Biphenyl, hexachloro-4-(methylsulfonyl)-)
67412-61-7 structure
Product Name:1,1'-Biphenyl, hexachloro-4-(methylsulfonyl)-
CAS No:67412-61-7
MF:C13H6Cl6O2S
MW:438.96853685379
CID:387946
PubChem ID:71368328
Update Time:2025-04-19
1,1'-Biphenyl, hexachloro-4-(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, hexachloro-4-(methylsulfonyl)-
- 1,2,3,4,5-pentachloro-6-(2-chloro-4-methylsulfonylphenyl)benzene
- 2,2',3,4,5,6-Hexachloro-4'-(methanesulfonyl)-1,1'-biphenyl
- DTXSID10791396
- 67412-61-7
-
- Inchi： 1S/C13H6Cl6O2S/c1-22(20,21)5-2-3-6(7(14)4-5)8-9(15)11(17)13(19)12(18)10(8)16/h2-4H,1H3
- InChI Key： LYIQAYNVCGJBJB-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1C1C(=C(C(=C(C=1Cl)Cl)Cl)Cl)Cl)S(C)(=O)=O
Computed Properties
- Exact Mass: 437.819017g/mol
- Monoisotopic Mass: 435.821967g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 479
- 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: 6.2
- Topological Polar Surface Area: 42.5?2
1,1'-Biphenyl, hexachloro-4-(methylsulfonyl)- Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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