4-Fluoro-3-methylbenzoic acid - CAS 403-15-6
Catalog: |
BB024446 |
Product Name: |
4-Fluoro-3-methylbenzoic acid |
CAS: |
403-15-6 |
Synonyms: |
4-fluoro-3-methylbenzoic acid |
IUPAC Name: | 4-fluoro-3-methylbenzoic acid |
Description: | 4-Fluoro-3-methylbenzoic acid (CAS# 403-15-6) is a useful research chemical. |
Molecular Weight: | 154.14 |
Molecular Formula: | C8H7FO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)O)F |
InChI: | InChI=1S/C8H7FO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11) |
InChI Key: | VOCCEVKUXUIHOI-UHFFFAOYSA-N |
Boiling Point: | 266.3 °C at 760 mmHg |
Melting Point: | 166-169 °C |
Purity: | 98 % |
Density: | 1.258 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD01631424 |
LogP: | 1.83230 |
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-112209876-A | Preparation method of 3-trifluoromethyl isoquinolinone derivative | 20201015 |
JP-2021134343-A | A reactive mixture containing a plurality of reactive components and a polymer having an aryl ether ketone structure obtained from this mixture. | 20200227 |
US-2021214366-A1 | Bicyclic heterocycles as fgfr inhibitors | 20200115 |
WO-2021146424-A1 | Bicyclic heterocycles as fgfr inhibitors | 20200115 |
US-2021115053-A1 | Bicyclic heterocycles as fgfr inhibitors | 20191016 |
PMID | Publication Date | Title | Journal |
12383485 | 20021115 | Liquid chromatography-tandem mass spectrometry identification of metabolites of three phenylcarboxyl derivatives of the 5-HT(1A) antagonist, N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-(2-pyridyl) trans-4-fluorocyclohexanecarboxamide (FCWAY), produced by human and rat hepatocytes | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.04300762 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.04300762 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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