4-Fluorobenzaldehyde - CAS 459-57-4
Catalog: |
BB026037 |
Product Name: |
4-Fluorobenzaldehyde |
CAS: |
459-57-4 |
Synonyms: |
4-fluorobenzaldehyde |
IUPAC Name: | 4-fluorobenzaldehyde |
Description: | 4-Fluorobenzaldehyde (CAS# 459-57-4) is a fluorinated benzaldehyde with inhibitory activity of mushroom tyrosinase. 4-Fluorobenzaldehyde is commonly used as a synthetic intermediate in the preparation of pharmaceutical compounds. |
Molecular Weight: | 124.11 |
Molecular Formula: | C7H5FO |
Canonical SMILES: | C1=CC(=CC=C1C=O)F |
InChI: | InChI=1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H |
InChI Key: | UOQXIWFBQSVDPP-UHFFFAOYSA-N |
Boiling Point: | 181 °C (758 mmHg) |
Melting Point: | -10 °C |
Purity: | 95 % |
Density: | 1.157 g/cm3 |
Appearance: | Clear very slight yellow liquid. |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. |
MDL: | MFCD00003378 |
LogP: | 1.63820 |
GHS Hazard Statement: | H226: Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
23287649 | 20130301 | Rapid microwave assisted synthesis and antimicrobial bioevaluation of novel steroidal chalcones | Steroids |
22354143 | 20121001 | Evaluation of fluorine-labeled gastrin-releasing peptide receptor (GRPR) agonists and antagonists by LC/MS | Amino acids |
22590295 | 20120501 | 3-Ethyl-4-[(E)-(4-fluoro-benzyl-idene)amino]-1H-1,2,4-triazole-5(4H)-thione | Acta crystallographica. Section E, Structure reports online |
22606137 | 20120401 | (Z)-1-(2,4-Difluoro-phen-yl)-3-(4-fluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
22412731 | 20120301 | Ethyl 6-(4-fluoro-phen-yl)-4-hy-droxy-2-sulfanyl-idene-4-trifluoro-methyl-1,3-diazinane-5-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 95.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.032442941 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.032442941 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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