Cas no 22872-43-1 (2-butyl-1,3,4-trifluorobenzene)
22872-43-1 structure
Product Name:2-butyl-1,3,4-trifluorobenzene
CAS No:22872-43-1
MF:C10H11F3
MW:188.189553499222
CID:1412003
PubChem ID:539749
Update Time:2025-04-20
2-butyl-1,3,4-trifluorobenzene Chemical and Physical Properties
Names and Identifiers
-
- 2-butyl-1,3,4-trifluorobenzene
- Benzene, 2-butyl-1,3,4-trifluoro-
- 1-n-Butyl-2,3,6-trifluor-benzol
- AC1LBP3A
- 1,2,4-Trifluor-3-butylbenzol
- 2,3,6-Trifluor-n-butyl-benzol
- CTK8H7041
- Benzene, 2-butyl-1,3,4-trifluoro-; 1-n-Butyl-2,3,6-trifluor-benzol; AC1LBP3A; 1,2,4-Trifluor-3-butylbenzol; 2,3,6-Trifluor-n-butyl-benzol; CTK8H7041;
- 22872-43-1
- HKLUEHGSILZNNP-UHFFFAOYSA-N
- 2-Butyl-1,3,4-trifluorobenzene #
- DTXSID80337189
-
- Inchi： 1S/C10H11F3/c1-2-3-4-7-8(11)5-6-9(12)10(7)13/h5-6H,2-4H2,1H3
- InChI Key： HKLUEHGSILZNNP-UHFFFAOYSA-N
- SMILES： FC1C(=CC=C(C=1CCCC)F)F
Computed Properties
- Exact Mass: 188.08128484g/mol
- Monoisotopic Mass: 188.08128484g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 149
- 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: 4.1
- Topological Polar Surface Area: 0?2
2-butyl-1,3,4-trifluorobenzene Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
22872-43-1 (2-butyl-1,3,4-trifluorobenzene) Related Products
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