4-(Trifluoromethoxy)benzaldehyde - CAS 659-28-9
Catalog: |
BB032863 |
Product Name: |
4-(Trifluoromethoxy)benzaldehyde |
CAS: |
659-28-9 |
Synonyms: |
4-(trifluoromethoxy)benzaldehyde |
IUPAC Name: | 4-(trifluoromethoxy)benzaldehyde |
Description: | 4-(Trifluoromethoxy)benzaldehyde (CAS# 659-28-9) is a useful research chemical. |
Molecular Weight: | 190.12 |
Molecular Formula: | C8H5F3O2 |
Canonical SMILES: | C1=CC(=CC=C1C=O)OC(F)(F)F |
InChI: | InChI=1S/C8H5F3O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H |
InChI Key: | XQNVDQZWOBPLQZ-UHFFFAOYSA-N |
Boiling Point: | 93 °C (27 mmHg) |
Purity: | 98 % |
Density: | 1.331 g/cm3 |
Appearance: | Clear colorless to pale yellow-green liquid |
MDL: | MFCD00041530 |
LogP: | 2.39770 |
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 |
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PMID | Publication Date | Title | Journal |
22091162 | 20110801 | (E)-2-[4-(Trifluoro-meth-oxy)benzyl-idene]indan-1-one | Acta crystallographica. Section E, Structure reports online |
21375334 | 20110414 | Design, synthesis, and structure-activity relationship exploration of 1-substituted 4-aroyl-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one analogues as inhibitors of the annexin A2-S100A10 protein interaction | Journal of medicinal chemistry |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.02416388 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.02416388 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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