Cas no 104380-10-1 (Benzene,1,2,5-trichloro-3-(methylsulfonyl)-)
104380-10-1 structure
Product Name:Benzene,1,2,5-trichloro-3-(methylsulfonyl)-
CAS No:104380-10-1
MF:C7H5Cl3O2S
MW:259.537398099899
CID:172507
PubChem ID:128553
Update Time:2025-04-19
Benzene,1,2,5-trichloro-3-(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,2,5-trichloro-3-(methylsulfonyl)-
- 1,2,5-trichloro-3-methylsulfonylbenzene
- 2,3,5-trichlorophenyl methyl sulfone
- 1,2,5-Trichloro-3-(methylsulfonyl)benzene
- 2,3,5-Tpms
- AC1L2U00
- ACMC-1C5E4
- AG-D-16560
- CTK4A3003
- DTXSID90146441
- SCHEMBL16316759
- 104380-10-1
- Benzene, 1,2,5-trichloro-3-(methylsulfonyl)-
-
- Inchi： 1S/C7H5Cl3O2S/c1-13(11,12)6-3-4(8)2-5(9)7(6)10/h2-3H,1H3
- InChI Key： PLCYRPLOLJUFSE-UHFFFAOYSA-N
- SMILES： ClC1C(=CC(=CC=1S(C)(=O)=O)Cl)Cl
Computed Properties
- Exact Mass: 257.90775
- Monoisotopic Mass: 257.907583
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 272
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3
- Topological Polar Surface Area: 42.5
Experimental Properties
- Density: 1.553
- Boiling Point: 412.9°C at 760 mmHg
- Flash Point: 203.5°C
- Refractive Index: 1.568
- PSA: 34.14
- LogP: 4.13110
Benzene,1,2,5-trichloro-3-(methylsulfonyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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