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

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Computed Properties

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

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

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Related Functional Groups

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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

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