Cas no 118829-14-4 (Benzoic acid,2,4,5-trifluoro-3-(trifluoromethyl)-)
118829-14-4 structure
Product Name:Benzoic acid,2,4,5-trifluoro-3-(trifluoromethyl)-
CAS No:118829-14-4
MF:C8H2F6O2
MW:244.090703487396
CID:131989
PubChem ID:14278827
Update Time:2025-04-19
Benzoic acid,2,4,5-trifluoro-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2,4,5-trifluoro-3-(trifluoromethyl)-
- 2,4,5-Trifluoro-3-(trifluoromethyl)benzoic acid
- 2,4,5-Trifluoro-3-(trifluoromethyl)benzoic Aicd
- SCHEMBL7592421
- DTXSID30558403
- 118829-14-4
- MFCD03427543
- 2,4,5-trifluoro-3-(trifluoromethyl) benzoic acid
- 2,4,5-trifluoro-3-trifluoromethylbenzoic acid
- AKOS032949206
-
- Inchi： 1S/C8H2F6O2/c9-3-1-2(7(15)16)5(10)4(6(3)11)8(12,13)14/h1H,(H,15,16)
- InChI Key： SUUYTEUAWNNSEE-UHFFFAOYSA-N
- SMILES： FC1C(C(=O)O)=CC(=C(C=1C(F)(F)F)F)F
Computed Properties
- Exact Mass: 243.99586
- Monoisotopic Mass: 243.99589827g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 278
- 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: 2.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Color/Form: Not determined
- PSA: 37.3
- Solubility: Not determined
Benzoic acid,2,4,5-trifluoro-3-(trifluoromethyl)- Related Literature
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
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
118829-14-4 (Benzoic acid,2,4,5-trifluoro-3-(trifluoromethyl)-) Related Products
- 157337-81-0(2,4-Difluoro-3-(trifluoromethyl)benzoic Acid)
- 115029-23-7(2-Fluoro-5-(trifluoromethyl)benzoic acid)
- 115029-24-8(2-Fluoro-4-(trifluoromethyl)benzoic acid)
- 115029-22-6(2-Fluoro-3-(trifluoromethyl)benzoic acid)
- 115754-21-7(3-Fluoro-4-(trifluoromethyl)benzoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
Recommended suppliers
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier
CN Supplier
Bulk
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent