2',4'-Difluoroacetophenone - CAS 364-83-0
Catalog: |
BB022985 |
Product Name: |
2',4'-Difluoroacetophenone |
CAS: |
364-83-0 |
Synonyms: |
1-(2,4-difluorophenyl)ethanone |
IUPAC Name: | 1-(2,4-difluorophenyl)ethanone |
Description: | 2',4'-Difluoroacetophenone (CAS# 364-83-0) is a useful research chemical. |
Molecular Weight: | 156.13 |
Molecular Formula: | C8H6F2O |
Canonical SMILES: | CC(=O)C1=C(C=C(C=C1)F)F |
InChI: | InChI=1S/C8H6F2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3 |
InChI Key: | QEWHNJPLPZOEKU-UHFFFAOYSA-N |
Boiling Point: | 80-81 °C (25 mmHg) |
Purity: | 98 % |
Density: | 1.234 g/cm3 |
Appearance: | Clear colorless to yellow liqui |
MDL: | MFCD00151261 |
LogP: | 2.16740 |
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 |
KR-20210115115-A | Composition for inducing brown fat cells comprising Isoliquiritigenin Derivatives for Preventing or Treating of heart Related Diseases | 20200311 |
WO-2021182896-A1 | Induced brown fat differentiation composition comprising isoliquiritigenin derivative | 20200311 |
CN-111019915-A | Application of carbonyl reductase mutant in synthesis of chiral ortho-halogenated- α -phenethyl alcohol | 20191108 |
WO-2021069701-A1 | Atf6 modulators and uses thereof | 20191009 |
WO-2020264512-A1 | Compounds for treating cns disorders | 20190627 |
PMID | Publication Date | Title | Journal |
18583127 | 20080715 | Synthesis of novel ketoconazole derivatives as inhibitors of the human Pregnane X Receptor (PXR; NR1I2; also termed SXR, PAR) | Bioorganic & medicinal chemistry letters |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.03867113 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.03867113 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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