Cas no 61841-45-0 (Benzene, 1,2,3-trichloro-4-(trifluoromethyl)-)
61841-45-0 structure
Product Name:Benzene, 1,2,3-trichloro-4-(trifluoromethyl)-
CAS No:61841-45-0
MF:C7H2Cl3F3
MW:249.444989681244
CID:464862
PubChem ID:13308244
Update Time:2025-04-19
Benzene, 1,2,3-trichloro-4-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,2,3-trichloro-4-(trifluoromethyl)-
- 1,2,3-trichloro-4-(trifluoromethyl)benzene
- 61841-45-0
- DTXSID70536149
- MFCD31009027
- SCHEMBL2991016
- 2,3,4-Trichlorobenzotrifluoride
-
- Inchi： 1S/C7H2Cl3F3/c8-4-2-1-3(7(11,12)13)5(9)6(4)10/h1-2H
- InChI Key： HVYQJEDLPSKQGC-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C=CC=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: 4.7
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, 1,2,3-trichloro-4-(trifluoromethyl)- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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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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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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