2,4,5-Trifluoro-3-methoxybenzoic acid - CAS 112811-65-1
Catalog: |
BB003049 |
Product Name: |
2,4,5-Trifluoro-3-methoxybenzoic acid |
CAS: |
112811-65-1 |
Synonyms: |
2,4,5-trifluoro-3-methoxybenzoic acid |
IUPAC Name: | 2,4,5-trifluoro-3-methoxybenzoic acid |
Description: | 2,4,5-Trifluoro-3-methoxybenzoic acid (CAS# 112811-65-1) is a useful research chemical. |
Molecular Weight: | 206.12 |
Molecular Formula: | C8H5F3O3 |
Canonical SMILES: | COC1=C(C(=CC(=C1F)F)C(=O)O)F |
InChI: | InChI=1S/C8H5F3O3/c1-14-7-5(10)3(8(12)13)2-4(9)6(7)11/h2H,1H3,(H,12,13) |
InChI Key: | YVJHZWWMKFQKDC-UHFFFAOYSA-N |
Boiling Point: | 229.2 °C at 760 mmHg |
Melting Point: | 105-112 °C |
Purity: | 98 % |
Density: | 1.472 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00153201 |
LogP: | 1.81070 |
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 |
WO-2021204626-A1 | Aryl and heteroaryl-carboxamide substituted heteroaryl compounds as tyk2 inhibitors | 20200406 |
WO-2021178420-A1 | Compounds targeting rna-binding proteins or rna-modifying proteins | 20200303 |
CN-110878082-A | Gatifloxacin and its synthesis method | 20191209 |
PMID | Publication Date | Title | Journal |
19390627 | 20090101 | Synthesis, characterization, and biological studies of organotin(IV) derivatives with o- or p-hydroxybenzoic acids | Bioinorganic chemistry and applications |
21201042 | 20080920 | Triphenyl-bis(2,4,5-trifluoro-3-methoxy-benzoato)anti-mony(V) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.01907850 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.01907850 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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