3-(Trifluoromethoxy)benzaldehyde - CAS 52771-21-8
Catalog: |
BB027939 |
Product Name: |
3-(Trifluoromethoxy)benzaldehyde |
CAS: |
52771-21-8 |
Synonyms: |
Benzaldehyde, 3-(trifluoromethoxy)-; m-(Trifluoromethoxy)benzaldehyde |
Related CAS: | 50823-91-1 (Deleted CAS)
|
IUPAC Name: | 3-(trifluoromethoxy)benzaldehyde |
Molecular Weight: | 190.12 |
Molecular Formula: | C8H5F3O2 |
Canonical SMILES: | C1=CC(=CC(=C1)OC(F)(F)F)C=O |
InChI: | InChI=1S/C8H5F3O2/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-5H |
InChI Key: | FQEVHRCPXFKJHF-UHFFFAOYSA-N |
Boiling Point: | 186.9±35.0°C at 760 mmHg |
Purity: | 95% |
Density: | 1.343±0.06 g/cm3 |
Appearance: | Clear Yellow Liquid |
Storage: | Store at RT |
MDL: | MFCD00042406 |
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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Complexity: | 179 |
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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