Cas no 124730-05-8 (Benzene, 1,4-dimethyl-2-(trichloromethyl)-)
124730-05-8 structure
Product Name:Benzene, 1,4-dimethyl-2-(trichloromethyl)-
CAS No:124730-05-8
MF:C9H9Cl3
MW:223.5267598629
CID:1217157
PubChem ID:14568795
Update Time:2025-04-20
Benzene, 1,4-dimethyl-2-(trichloromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,4-dimethyl-2-(trichloromethyl)-
- DTXSID901278308
- 1,4-dimethyl-2-(trichloromethyl)benzene
- 124730-05-8
-
- Inchi： 1S/C9H9Cl3/c1-6-3-4-7(2)8(5-6)9(10,11)12/h3-5H,1-2H3
- InChI Key： SRWYXOXDJXCKOM-UHFFFAOYSA-N
- SMILES： ClC(C1C=C(C)C=CC=1C)(Cl)Cl
Computed Properties
- Exact Mass: 221.97717
- Monoisotopic Mass: 221.976983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 150
- 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: 4.3
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, 1,4-dimethyl-2-(trichloromethyl)- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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5. 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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