Cas no 61841-47-2 (Benzene, 1,2,4-trichloro-3-(trifluoromethyl)-)
61841-47-2 structure
Product Name:Benzene, 1,2,4-trichloro-3-(trifluoromethyl)-
CAS No:61841-47-2
MF:C7H2Cl3F3
MW:249.444989681244
CID:464860
PubChem ID:13751534
Update Time:2025-04-19
Benzene, 1,2,4-trichloro-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,2,4-trichloro-3-(trifluoromethyl)-
- 1,2,4-trichloro-3-(trifluoromethyl)benzene
- 61841-47-2
- OJPRPROSLRCIRU-UHFFFAOYSA-N
- DTXSID00548396
-
- Inchi： 1S/C7H2Cl3F3/c8-3-1-2-4(9)6(10)5(3)7(11,12)13/h1-2H
- InChI Key： OJPRPROSLRCIRU-UHFFFAOYSA-N
- SMILES： ClC1C(=CC=C(C=1C(F)(F)F)Cl)Cl
Computed Properties
- Exact Mass: 247.91756
- Monoisotopic Mass: 247.917418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 182
- 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: 4.6
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, 1,2,4-trichloro-3-(trifluoromethyl)- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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