2,3,5,6-Tetrafluorobenzaldehyde - CAS 19842-76-3
Catalog: |
BB015344 |
Product Name: |
2,3,5,6-Tetrafluorobenzaldehyde |
CAS: |
19842-76-3 |
Synonyms: |
2,3,5,6-tetrafluorobenzaldehyde |
IUPAC Name: | 2,3,5,6-tetrafluorobenzaldehyde |
Description: | 2,3,5,6-Tetrafluorobenzaldehyde (CAS# 19842-76-3) is a useful research chemical. |
Molecular Weight: | 178.08 |
Molecular Formula: | C7H2F4O |
Canonical SMILES: | C1=C(C(=C(C(=C1F)F)C=O)F)F |
InChI: | InChI=1S/C7H2F4O/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1-2H |
InChI Key: | YIRYOMXPMOLQSO-UHFFFAOYSA-N |
Boiling Point: | 178 °C at 760 mmHg |
Density: | 1.525 g/cm3 |
Appearance: | Clear yellow liquid |
MDL: | MFCD00167387 |
LogP: | 2.05550 |
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 |
16119190 | 20050601 | Carbonic anhydrase inhibitors: Inhibition of the tumor-associated isozymes IX and XII with polyfluorinated aromatic/heterocyclic sulfonamides | Journal of enzyme inhibition and medicinal chemistry |
15139757 | 20040520 | Carbonic anhydrase inhibitors: synthesis and topical intraocular pressure lowering effects of fluorine-containing inhibitors devoid of enhanced reactivity | Journal of medicinal chemistry |
15081039 | 20040503 | Carbonic anhydrase inhibitors: inhibition of the tumor-associated isozyme IX with fluorine-containing sulfonamides. The first subnanomolar CA IX inhibitor discovered | Bioorganic & medicinal chemistry letters |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.00417733 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.00417733 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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