3-[3-(Trifluoromethyl)phenoxy]benzaldehyde - CAS 78725-46-9

Name: 3-[3-(Trifluoromethyl)phenoxy]benzaldehyde
Brand: BOC Sciences
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Catalog:	BB036231
Product Name:	3-[3-(Trifluoromethyl)phenoxy]benzaldehyde
CAS:	78725-46-9
Synonyms:	3-[3-(trifluoromethyl)phenoxy]benzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	3-[3-(trifluoromethyl)phenoxy]benzaldehyde
Description:	3-[3-(Trifluoromethyl)phenoxy]benzaldehyde (CAS# 78725-46-9 ) is a useful research chemical.
Molecular Weight:	266.22
Molecular Formula:	C14H9F3O2
Canonical SMILES:	C1=CC(=CC(=C1)OC2=CC=CC(=C2)C(F)(F)F)C=O
InChI:	InChI=1S/C14H9F3O2/c15-14(16,17)11-4-2-6-13(8-11)19-12-5-1-3-10(7-12)9-18/h1-9H
InChI Key:	RPORRWJOHNQOHN-UHFFFAOYSA-N
Boiling Point:	315.3 °C at 760 mmHg
Purity:	95 %
Density:	1.284 g/cm³
Appearance:	Clear yellow liquid
MDL:	MFCD00003356
LogP:	4.31020

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[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
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate

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-2015223049-B2	Heterocyclic compounds as NaV channel inhibitors and uses thereof	20140227
US-10377745-B2	Heterocyclic compounds as NaV channel inhibitors and uses thereof	20140227
US-2015266862-A1	Heterocyclic compounds as nav channel inhibitors and uses thereof	20140227
US-2017233377-A1	Heterocyclic compounds as nav channel inhibitors and uses thereof	20140227
US-9676757-B2	Heterocyclic compounds as NaV channel inhibitors and uses thereof	20140227

Complexity:	304
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	266.05546401
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	266.05546401
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4