4'-Bromo-2'-fluoroacetophenone - CAS 625446-22-2
Catalog: |
BB031648 |
Product Name: |
4'-Bromo-2'-fluoroacetophenone |
CAS: |
625446-22-2 |
Synonyms: |
1-(4-bromo-2-fluorophenyl)ethanone; 1-(4-bromo-2-fluorophenyl)ethanone |
IUPAC Name: | 1-(4-bromo-2-fluorophenyl)ethanone |
Description: | 4'-Bromo-2'-fluoroacetophenone (CAS# 625446-22-2) is a useful research chemical. |
Molecular Weight: | 217.04 |
Molecular Formula: | C8H6BrFO |
Canonical SMILES: | CC(=O)C1=C(C=C(C=C1)Br)F |
InChI: | InChI=1S/C8H6BrFO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3 |
InChI Key: | ASKFCSCYGAFWAB-UHFFFAOYSA-N |
Boiling Point: | 256.305 °C at 760 mmHg |
Density: | 1.535 g/cm3 |
MDL: | MFCD03411551 |
LogP: | 2.79080 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111517985-A | Preparation method of 4- [ (1R) -1-amino-2-hydroxyethyl ] -3-fluoro-benzonitrile | 20200520 |
WO-2021134042-A1 | Methods and compositions for inhibition of dihydroorotate dehydrogenase | 20191226 |
CN-111019915-A | Application of carbonyl reductase mutant in synthesis of chiral ortho-halogenated- α -phenethyl alcohol | 20191108 |
WO-2021067606-A1 | Brm targeting compounds and associated methods of use | 20191001 |
WO-2020254487-A1 | Hydroxyisoxazolines and derivatives thereof | 20190621 |
PMID | Publication Date | Title | Journal |
12729660 | 20030519 | Photoinduced cleavage of DNA by bromofluoroacetophenone-pyrrolecarboxamide conjugates | Bioorganic & medicinal chemistry letters |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.95861 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.95861 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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