Cas no 35480-53-6 (2,6-bis(2,2,2-trifluoroethoxy)benzoic acid)
35480-53-6 structure
Product Name:2,6-bis(2,2,2-trifluoroethoxy)benzoic acid
CAS No:35480-53-6
MF:C11H8F6O4
MW:318.169244766235
CID:1470631
PubChem ID:21493157
Update Time:2025-04-20
2,6-bis(2,2,2-trifluoroethoxy)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2,6-bis(2,2,2-trifluoroethoxy)benzoic acid
- Benzoic acid, 2,6-bis(2,2,2-trifluoroethoxy)-
- FXFF1OR BVQ CO1XFFF
- 35480-53-6
- DTXSID201264809
- 2,6-di(2,2,2-trifluoroethoxy)benzoic acid
- SCHEMBL11786417
-
- Inchi： 1S/C11H8F6O4/c12-10(13,14)4-20-6-2-1-3-7(8(6)9(18)19)21-5-11(15,16)17/h1-3H,4-5H2,(H,18,19)
- InChI Key： XUJRSBBONVZIRL-UHFFFAOYSA-N
- SMILES： FC(COC1C=CC=C(C=1C(=O)O)OCC(F)(F)F)(F)F
Computed Properties
- Exact Mass: 318.03264
- Monoisotopic Mass: 318.03267770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 328
- 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: 2.9
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- Density: 1.474
- Boiling Point: 309.7°C at 760 mmHg
- Flash Point: 141.1°C
- Refractive Index: 1.438
- PSA: 55.76
2,6-bis(2,2,2-trifluoroethoxy)benzoic acid Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
35480-53-6 (2,6-bis(2,2,2-trifluoroethoxy)benzoic acid) Related Products
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