Cas no 33564-64-6 (3-Bromo-2,4,5-trifluorobenzoic acid)
33564-64-6 structure
Product Name:3-Bromo-2,4,5-trifluorobenzoic acid
CAS No:33564-64-6
MF:C7HBrF4O2
MW:272.979255437851
CID:89024
PubChem ID:298204
Update Time:2025-04-18
3-Bromo-2,4,5-trifluorobenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-Bromo-2,4,5-trifluorobenzoic acid
- 2,4,5-TRIFLUORO-3-BROMOBENZOIC ACID
- 3-bromo-2,4,5,6-tetrafluorobenzoic acid
- 3-Brom-2,4,5,6-tetrafluor-benzoesaeure
- 3-Bromo-2,4,5-Trifluorobenzoic
- FT-0601833
- DTXSID80305282
- A20202
- 33564-64-6
- NSC170094
- NSC-170094
- 2,4,5-TRIFLUORO-3-BROMOBENZOIC ACID AND THE DERIVATIVES,98+%(HPLC)
- Benzoic acid, 3-bromo-2,4,5,6-tetrafluoro-
-
- Inchi： 1S/C7HBrF4O2/c8-2-3(9)1(7(13)14)4(10)6(12)5(2)11/h(H,13,14)
- InChI Key： VHISMEDHBFHJET-UHFFFAOYSA-N
- SMILES： BrC1=C(C(=C(C(C(=O)O)=C1F)F)F)F
- BRN： 7584381
Computed Properties
- Exact Mass: 271.91000
- Monoisotopic Mass: 271.91
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 240
- 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: 2.5
- Topological Polar Surface Area: 37.3A^2
Experimental Properties
- Density: 1.949
- Melting Point: 122-123°C
- Boiling Point: 285.9 °C at 760 mmHg
- Flash Point: 126.7 °C
- Refractive Index: 1.537
- PSA: 37.30000
- LogP: 2.70370
3-Bromo-2,4,5-trifluorobenzoic acid Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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