Cas no 76213-17-7 (Benzene, 1-(methylsulfonyl)-4-(trichloromethyl)-)
76213-17-7 structure
Product Name:Benzene, 1-(methylsulfonyl)-4-(trichloromethyl)-
CAS No:76213-17-7
MF:C8H7Cl3O2S
MW:273.563978433609
CID:538169
PubChem ID:20437957
Update Time:2025-04-19
Benzene, 1-(methylsulfonyl)-4-(trichloromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(methylsulfonyl)-4-(trichloromethyl)-
- 1-methylsulfonyl-4-(trichloromethyl)benzene
- 1-(Methanesulfonyl)-4-(trichloromethyl)benzene
- SCHEMBL11039609
- 76213-17-7
- MORNEPHYIBISFF-UHFFFAOYSA-N
- 4-(methylsulfonyl)-alpha,alpha,alpha-trichlorotoluene
- 4-mesylbenzotrichloride
- DTXSID90607143
-
- Inchi： 1S/C8H7Cl3O2S/c1-14(12,13)7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3
- InChI Key： MORNEPHYIBISFF-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC(=CC=1)S(C)(=O)=O)(Cl)Cl
Computed Properties
- Exact Mass: 271.92341
- Monoisotopic Mass: 271.923234g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 281
- 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: 2.8
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- PSA: 34.14
Benzene, 1-(methylsulfonyl)-4-(trichloromethyl)- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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