4'-Chloro-2'-fluoroacetophenone - CAS 175711-83-8
Catalog: |
BB013160 |
Product Name: |
4'-Chloro-2'-fluoroacetophenone |
CAS: |
175711-83-8 |
Synonyms: |
1-(4-chloro-2-fluorophenyl)ethanone; 1-(4-chloro-2-fluorophenyl)ethanone |
IUPAC Name: | 1-(4-chloro-2-fluorophenyl)ethanone |
Description: | 4'-Chloro-2'-fluoroacetophenone (CAS# 175711-83-8) is used as a reagent in the synthesis of aminoazabenzimidazoles as a novel class of orally active antimalarial agents. 4'-Chloro-2'-fluoroacetophenone is also used in the preparation of the JAK2 Inhibitor, LY2784544 (L486570). |
Molecular Weight: | 172.58 |
Molecular Formula: | C8H6ClFO |
Canonical SMILES: | CC(=O)C1=C(C=C(C=C1)Cl)F |
InChI: | InChI=1S/C8H6ClFO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3 |
InChI Key: | OIGMDNONQJGUCF-UHFFFAOYSA-N |
Boiling Point: | 233 ℃ |
Density: | 1.258 g/cm3 |
MDL: | MFCD04116328 |
LogP: | 2.68170 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111019915-A | Application of carbonyl reductase mutant in synthesis of chiral ortho-halogenated- α -phenethyl alcohol | 20191108 |
WO-2020248278-A1 | Method for continuous synthesis of substituted benzoic-acid organic substance | 20190614 |
WO-2020234726-A1 | Combinations comprising benzodioxol as glp-1r agonists for use in the treatment of nash/nafld and related diseases | 20190520 |
US-2020325121-A1 | Glp-1r agonists and uses thereof | 20190412 |
WO-2020207474-A1 | Glp-1r agonists and uses thereof | 20190412 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.0091207 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.0091207 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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