2-Chloro-6-fluorobenzoic Acid - CAS 434-75-3
Catalog: |
BB025416 |
Product Name: |
2-Chloro-6-fluorobenzoic Acid |
CAS: |
434-75-3 |
Synonyms: |
2-chloro-6-fluorobenzoic acid; 2-chloro-6-fluorobenzoic acid |
IUPAC Name: | 2-chloro-6-fluorobenzoic acid |
Description: | 2-Chloro-6-fluorobenzoic Acid (CAS# 434-75-3) is a versatile reactant used in the synthesis of biaryls via decarboxylative Pd-catalyzed cross-coupling with aryl iodides. Also used in the preparation of fluorinated biaryls and heterobiaryls using copper catalyzed decarboxylative cross-coupling of aryl and heteroalyl iodides or bromides with potassium polyfluorobenzoates. |
Molecular Weight: | 174.56 |
Molecular Formula: | C7H4ClFO2 |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)C(=O)O)F |
InChI: | InChI=1S/C7H4ClFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11) |
InChI Key: | XNTIGDVFBDJLTQ-UHFFFAOYSA-N |
Boiling Point: | 263.7 °C at 760 mmHg |
Density: | 1.477 g/cm3 |
MDL: | MFCD00002417 |
LogP: | 2.17730 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113185031-A | Fluorine-containing aromatic hydrocarbon wastewater treatment process | 20210515 |
WO-2021170886-A2 | Electronic device | 20200806 |
CN-113461670-A | Novel compounds as inhibitors of rearrangement kinase during transfection | 20200331 |
WO-2021197250-A1 | Novel compound as rearranged during transfection kinase inhibitor | 20200331 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
PMID | Publication Date | Title | Journal |
21754726 | 20110601 | 2-Chloro-6-fluoro-benzoic acid | Acta crystallographica. Section E, Structure reports online |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.9883852 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.9883852 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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