2,4,5-Trifluorobenzoic acid - CAS 446-17-3
Catalog: |
BB025659 |
Product Name: |
2,4,5-Trifluorobenzoic acid |
CAS: |
446-17-3 |
Synonyms: |
Benzoic acid, 2,4,5-trifluoro-; 2,4,5-Trifluoro-benzoic Acid |
IUPAC Name: | 2,4,5-trifluorobenzoic acid |
Description: | 2,4,5-Trifluorobenzoic acid (CAS# 446-17-3) is a useful synthetic intermediate. It can be used to synthesize quinolone antibacterial agnts. |
Molecular Weight: | 176.09 |
Molecular Formula: | C7H3F3O2 |
Canonical SMILES: | C1=C(C(=CC(=C1F)F)F)C(=O)O |
InChI: | InChI=1S/C7H3F3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12) |
InChI Key: | AKAMNXFLKYKFOJ-UHFFFAOYSA-N |
Boiling Point: | 241.9±35.0°C at 760 mmHg |
Melting Point: | 100°C |
Purity: | ≥95% |
Density: | 1.536±0.06 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), DMSO (Slightly) |
Appearance: | White to light yellow crystal powder |
Storage: | Store at 2-8°C |
MDL: | MFCD00013306 |
LogP: | 1.80210 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021119753-A1 | Compounds | 20191218 |
WO-2021116446-A1 | Functionalized heterocyclic compounds as modulators of stimulator of interferon genes (sting) | 20191211 |
WO-2021116451-A1 | Heterocyclic compounds as modulators of stimulator of interferon genes (sting) | 20191211 |
WO-2021032687-A1 | Antimalarial hexahydropyrimidine analogues | 20190819 |
WO-2020161663-A1 | Dihydroorotate dehydrogenase inhibitors | 20190207 |
PMID | Publication Date | Title | Journal |
21135952 | 20110121 | Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.00851382 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.00851382 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Fluorinated Building Blocks
-
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
-
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
-
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
-
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
-
[1597-32-6]
2-Amino-6-fluoropyridine
-
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
Other Pyrimidines
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS