5-[2-(Trifluoromethyl)phenyl]furfural - CAS 94098-56-3
Catalog: |
BB041192 |
Product Name: |
5-[2-(Trifluoromethyl)phenyl]furfural |
CAS: |
94098-56-3 |
Synonyms: |
5-[2-(trifluoromethyl)phenyl]furan-2-carbaldehyde |
IUPAC Name: | 5-[2-(trifluoromethyl)phenyl]furan-2-carbaldehyde |
Description: | 5-[2-(Trifluoromethyl)phenyl]furfural (CAS# 94098-56-3) is a useful research chemical. |
Molecular Weight: | 240.18 |
Molecular Formula: | C12H7F3O2 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=CC=C(O2)C=O)C(F)(F)F |
InChI: | InChI=1S/C12H7F3O2/c13-12(14,15)10-4-2-1-3-9(10)11-6-5-8(7-16)17-11/h1-7H |
InChI Key: | BECHPBVVELWRBW-UHFFFAOYSA-N |
Boiling Point: | 331.7 °C at 760 mmHg |
Density: | 1.314 g/cm3 |
Appearance: | White to yellow solid |
MDL: | MFCD00274240 |
LogP: | 3.77790 |
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 |
KR-101897797-B1 | Cyclic amino substituted 5-arylfuran-2-carboxamide, preparation method thereof, and pharmaceutical composition for use in preventing or treating Urotensin-â…¡ receptor activity related diseases containing the same as an active ingredient | 20170421 |
WO-2017156265-A1 | Direct palladium-catalyzed aromatic fluorination | 20160309 |
EP-3226858-A1 | Imidazole-based antimicrobial agents | 20141204 |
TW-201625595-A | Novel imidazole heterocyclic compounds | 20141204 |
TW-I677497-B | Novel imidazole-based heterocyclic compounds | 20141204 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.03981395 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.03981395 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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