2-Hydroxy-5-(trifluoromethoxy)benzaldehyde - CAS 93249-62-8

Name: 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB040820
Product Name:	2-Hydroxy-5-(trifluoromethoxy)benzaldehyde
CAS:	93249-62-8
Synonyms:	2-hydroxy-5-(trifluoromethoxy)benzaldehyde

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Computed Properties

IUPAC Name:	2-hydroxy-5-(trifluoromethoxy)benzaldehyde
Description:	2-Hydroxy-5-(trifluoromethoxy)benzaldehyde (CAS# 93249-62-8) is a useful research chemical.
Molecular Weight:	206.12
Molecular Formula:	C8H5F3O3
Canonical SMILES:	C1=CC(=C(C=C1OC(F)(F)F)C=O)O
InChI:	InChI=1S/C8H5F3O3/c9-8(10,11)14-6-1-2-7(13)5(3-6)4-12/h1-4,13H
InChI Key:	WQUZBERVMUEJTD-UHFFFAOYSA-N
Boiling Point:	82 °C (60 torr)
Density:	1.473 g/cm³
Appearance:	Low mp solid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD00075249
LogP:	2.10330

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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
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

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
CN-113201233-A	Photochromic organic pigment and preparation method thereof	20210429
US-2020392148-A1	Chemosensor and a method of detecting palladium ions	20190612
US-11124522-B2	Chemosensor and a method of detecting palladium ions	20190612
EP-3638649-A1	Anti-fungals compounds targeting the synthesis of fungal sphingolipids	20170616
US-2020207705-A1	Anti-fungals compounds targeting the synthesis of fungal sphingolipids	20170616

PMID	Publication Date	Title	Journal
22589897	20120401	2-[(E)-(Naphthalen-2-yl-imino)-meth-yl]-4-(trifluoro-meth-oxy)phenol	Acta crystallographica. Section E, Structure reports online
21522804	20101211	2-[(E)-2-Hy-droxy-5-(trifluoro-meth-oxy)benzyl-idene-amino]-4-methyl-phenol	Acta crystallographica. Section E, Structure reports online
21580285	20100203	(E)-2-[(3-Fluoro-phen-yl)imino-meth-yl]-4-(trifluoro-meth-oxy)phenol	Acta crystallographica. Section E, Structure reports online
21578304	20091010	(E)-2-[(4-Chloro-phen-yl)imino-meth-yl]-4-(trifluoro-meth-oxy)phenol	Acta crystallographica. Section E, Structure reports online

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.01907850
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.01907850
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8