5-Bromo-2-fluorobenzaldehyde - CAS 93777-26-5
Catalog: |
BB041081 |
Product Name: |
5-Bromo-2-fluorobenzaldehyde |
CAS: |
93777-26-5 |
Synonyms: |
5-bromo-2-fluorobenzaldehyde |
IUPAC Name: | 5-bromo-2-fluorobenzaldehyde |
Description: | 5-Bromo-2-fluorobenzaldehyde (CAS# 93777-26-5) is used for the preparation of benzimidazole derivatives as inhibitors of leukotriene production. |
Molecular Weight: | 203.01 |
Molecular Formula: | C7H4BrFO |
Canonical SMILES: | C1=CC(=C(C=C1Br)C=O)F |
InChI: | InChI=1S/C7H4BrFO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H |
InChI Key: | MMFGGDVQLQQQRX-UHFFFAOYSA-N |
Boiling Point: | 230 °C (lit.) |
Melting Point: | 58-62 °C |
Purity: | 96 % |
Density: | 1.67 g/cm3 |
Appearance: | Clear yellowish liquid after melting |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store under an inert atmosphere. |
MDL: | MFCD00070755 |
LogP: | 2.40070 |
GHS Hazard Statement: | H315 (100%): 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-113200970-A | Osthole isoxazoline derivatives, and preparation method and application thereof | 20210426 |
WO-2021154966-A1 | Compounds and compositions for use in treating skin disorders | 20200129 |
CN-112830935-A | Crystal form containing free base of tricyclic derivative and pharmaceutical composition thereof | 20191125 |
CN-113227101-A | Salt or crystal form containing tricyclic derivative and pharmaceutical composition thereof | 20191125 |
WO-2021104146-A1 | Three fused ring derivative-containing salt or crystal form and pharmaceutical composition thereof | 20191125 |
PMID | Publication Date | Title | Journal |
19924760 | 20091201 | Investigation of trypanothione reductase as a drug target in Trypanosoma brucei | ChemMedChem |
19465931 | 20090701 | Inhibitor hijacking of Akt activation | Nature chemical biology |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.94296 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.94296 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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