2-Bromo-3'-fluoroacetophenone - CAS 53631-18-8
Catalog: |
BB028295 |
Product Name: |
2-Bromo-3'-fluoroacetophenone |
CAS: |
53631-18-8 |
Synonyms: |
2-bromo-1-(3-fluorophenyl)ethanone |
IUPAC Name: | 2-bromo-1-(3-fluorophenyl)ethanone |
Description: | 2-Bromo-3'-fluoroacetophenone (CAS# 53631-18-8) is a useful research chemical. |
Molecular Weight: | 217.04 |
Molecular Formula: | C8H6BrFO |
Canonical SMILES: | C1=CC(=CC(=C1)F)C(=O)CBr |
InChI: | InChI=1S/C8H6BrFO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2 |
InChI Key: | ITAQNNGDCNFGID-UHFFFAOYSA-N |
Boiling Point: | 76 °C (0.09 torr) |
Melting Point: | 34-35 °C |
Purity: | 95 % |
Density: | 1.568 g/cm3 |
Storage: | Keep Cold |
MDL: | MFCD00109756 |
LogP: | 2.40330 |
GHS Hazard Statement: | H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111196787-A | Citral thiazole hydrazone derivatives, and preparation method and application thereof | 20200119 |
WO-2021116178-A1 | Pyrazolotriazines | 20191211 |
CN-110372614-B | Tetrahydroquinoxaline compound, preparation method and application thereof | 20190703 |
CN-111196804-A | TGF- β R1 inhibitor and application thereof | 20181120 |
WO-2020103817-A1 | TGF-βR1 INHIBITOR AND USE THEREOF | 20181120 |
PMID | Publication Date | Title | Journal |
22162199 | 20120102 | Design, synthesis and biological evaluation of Trypanosoma brucei trypanothione synthetase inhibitors | ChemMedChem |
Complexity: | 149 |
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: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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