5-Fluoro-2-(trifluoromethyl)benzaldehyde - CAS 90381-08-1
Catalog: |
BB039823 |
Product Name: |
5-Fluoro-2-(trifluoromethyl)benzaldehyde |
CAS: |
90381-08-1 |
Synonyms: |
5-fluoro-2-(trifluoromethyl)benzaldehyde; 5-fluoro-2-(trifluoromethyl)benzaldehyde |
IUPAC Name: | 5-fluoro-2-(trifluoromethyl)benzaldehyde |
Description: | 5-Fluoro-2-(trifluoromethyl)benzaldehyde (CAS# 90381-08-1) is a useful research chemical. |
Molecular Weight: | 192.11 |
Molecular Formula: | C8H4F4O |
Canonical SMILES: | C1=CC(=C(C=C1F)C=O)C(F)(F)F |
InChI: | InChI=1S/C8H4F4O/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-4H |
InChI Key: | MITVIZWTPVYRDO-UHFFFAOYSA-N |
Boiling Point: | 166.6 °C at 760 mmHg |
Density: | 1.214 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00236276 |
LogP: | 2.65700 |
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 |
AU-2018334290-A1 | Pyridazinones and methods of use thereof | 20170918 |
WO-2019055966-A2 | PYRIDAZINONES AND METHODS OF USE | 20170918 |
EP-3684364-A2 | Pyridazinones and methods of use thereof | 20170918 |
WO-2017145050-A1 | Pyridylpyridone derivative useful as a ret kinase inhibitor in the treatment of ibs and cancer | 20160223 |
US-2017360801-A1 | Bromodomain inhibitor as adjuvant in cancer immunotherapy | 20141205 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.01982740 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.01982740 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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