3-Hydroxy-2,4,5-trifluorobenzoic acid - CAS 116751-24-7
Catalog: |
BB003810 |
Product Name: |
3-Hydroxy-2,4,5-trifluorobenzoic acid |
CAS: |
116751-24-7 |
Synonyms: |
2,4,5-trifluoro-3-hydroxybenzoic acid |
IUPAC Name: | 2,4,5-trifluoro-3-hydroxybenzoic acid |
Description: | 2,4,5-Trifluoro-3-hydroxybenzoic Acid can be used to prepare quinoline derivatives as Antibacterial Agents. |
Molecular Weight: | 192.09 |
Molecular Formula: | C7H3F3O3 |
Canonical SMILES: | C1=C(C(=C(C(=C1F)F)O)F)C(=O)O |
InChI: | InChI=1S/C7H3F3O3/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1,11H,(H,12,13) |
InChI Key: | YYAFUGSJSHXYNK-UHFFFAOYSA-N |
Boiling Point: | 292.6 °C at 760 mmHg |
Melting Point: | 144-145 °C |
Purity: | 98 % |
Density: | 1.699 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00800378 |
LogP: | 1.50770 |
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 |
CN-111635307-A | Synthesis method of 2,4, 5-trifluoro-3-methoxybenzoyl chloride | 20200525 |
CN-111662172-A | Process for preparing 2,4, 5-trifluoro-3-methoxybenzoic acid by one-pot method | 20200525 |
CN-110357816-A | A kind of synthetic method of gatifloxacin cyclized ester | 20190808 |
CN-111253241-A | Preparation method of 2,4, 5-trifluoro-3-methoxybenzoyl chloride and intermediate thereof | 20181130 |
CN-103450013-A | Industrial preparation method of 2,4,5-trifluoro-3-methoxybenzoyl chloride | 20130830 |
PMID | Publication Date | Title | Journal |
22199603 | 20111201 | Diaqua-bis-(4,4'-bipyridine-κN)bis-(2,4,5-trifluoro-3-hy-droxy-benzoato-κO)manganese(II) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.00342844 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.00342844 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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