2',6'-Dichloro-3'-fluoroacetophenone - CAS 290835-85-7
Catalog: |
BB020087 |
Product Name: |
2',6'-Dichloro-3'-fluoroacetophenone |
CAS: |
290835-85-7 |
Synonyms: |
1-(2,6-dichloro-3-fluorophenyl)ethanone |
IUPAC Name: | 1-(2,6-dichloro-3-fluorophenyl)ethanone |
Description: | 2',6'-Dichloro-3'-fluoroacetophenone (CAS# 290835-85-7) is a halogenated derivative of Acetophenone (A164015), a reagent used in the production of fragrances and resin polymers. |
Molecular Weight: | 207.03 |
Molecular Formula: | C8H5Cl2FO |
Canonical SMILES: | CC(=O)C1=C(C=CC(=C1Cl)F)Cl |
InChI: | InChI=1S/C8H5Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-3H,1H3 |
InChI Key: | VJBFZHHRVCPAPZ-UHFFFAOYSA-N |
Boiling Point: | 255 °C |
Purity: | 95 % |
Density: | 1.403 g/cm3 |
Appearance: | Clear colorless to light yellow liquid |
MDL: | MFCD02093760 |
LogP: | 3.33510 |
GHS Hazard Statement: | H301 (82.98%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111118072-A | Method for preparing enzatinib intermediate by enzyme method | 20200114 |
WO-2020248186-A1 | Ketoreductase mutant and method for producing chiral alcohols | 20190613 |
WO-2020144476-A1 | Manganese catalysts and their use in hydrogenation of ketones | 20190108 |
CN-113260623-A | Manganese catalysts and their use in the hydrogenation of ketones | 20190108 |
JP-2019011367-A | Method for producing optically active secondary alcohol | 20181012 |
PMID | Publication Date | Title | Journal |
22590300 | 20120501 | 4-[(1E)-3-(2,6-Dichloro-3-fluoro-phen-yl)-3-oxoprop-1-en-1-yl]benzonitrile | Acta crystallographica. Section E, Structure reports online |
22589949 | 20120401 | (2E)-1-(2,6-Dichloro-3-fluoro-phen-yl)-3-phenyl-prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
22606108 | 20120401 | (2E)-1-(2,6-Dichloro-3-fluoro-phen-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
22347112 | 20120201 | (2E)-1-(2,6-Dichloro-3-fluoro-phen-yl)-3-(4-fluoro-phen-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.9701483 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.9701483 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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