5-[3-(Trifluoromethyl)phenyl]furfural - CAS 52130-30-0

Name: 5-[3-(Trifluoromethyl)phenyl]furfural
Brand: BOC Sciences
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Catalog:	BB027723
Product Name:	5-[3-(Trifluoromethyl)phenyl]furfural
CAS:	52130-30-0
Synonyms:	5-[3-(trifluoromethyl)phenyl]furan-2-carbaldehyde

Technical Data

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Patents

Computed Properties

IUPAC Name:	5-[3-(trifluoromethyl)phenyl]furan-2-carbaldehyde
Description:	5-[3-(Trifluoromethyl)phenyl]furfural (CAS# 52130-30-0) is a useful research chemical.
Molecular Weight:	240.18
Molecular Formula:	C12H7F3O2
Canonical SMILES:	C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C=O
InChI:	InChI=1S/C12H7F3O2/c13-12(14,15)9-3-1-2-8(6-9)11-5-4-10(7-16)17-11/h1-7H
InChI Key:	MRVWKXZQBOFMAW-UHFFFAOYSA-N
Boiling Point:	326.2 °C at 760 mmHg
Density:	1.314 g/cm³
Appearance:	Solid
MDL:	MFCD00274241
LogP:	3.77790

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

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-102114389-B1	Novel sodium channel inhibitor compound, preparation method thereof, and pharmaceutical composition for prevention or treatment of sodium channel related diseases containing the same as an active ingredient	20180502
KR-20190126525-A	Novel sodium channel inhibitor compound, preparation method thereof, and pharmaceutical composition for prevention or treatment of sodium channel related diseases containing the same as an active ingredient	20180502
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
KR-101859074-B1	Novel glycine amide compound or pharmaceutically acceptable salts thereof, preparation method thereof and pharmaceutical composition for prevention or treatment of diseases induced by activation of sodium channel containing the same as an active ingredient	20160128
KR-20170090547-A	Novel glycine amide compound or pharmaceutically acceptable salts thereof, preparation method thereof and pharmaceutical composition for prevention or treatment of diseases induced by activation of sodium channel containing the same as an active ingredient	20160128

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