5-Fluoro-2-(trifluoromethyl)benzaldehyde - CAS 90381-08-1

Catalog:	BB039823
Product Name:	5-Fluoro-2-(trifluoromethyl)benzaldehyde
CAS:	90381-08-1
Synonyms:	5-fluoro-2-(trifluoromethyl)benzaldehyde; 5-fluoro-2-(trifluoromethyl)benzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	5-fluoro-2-(trifluoromethyl)benzaldehyde
Description:	5-Fluoro-2-(trifluoromethyl)benzaldehyde (CAS# 90381-08-1) is a useful research chemical.
Molecular Weight:	192.11
Molecular Formula:	C8H4F4O
Canonical SMILES:	C1=CC(=C(C=C1F)C=O)C(F)(F)F
InChI:	InChI=1S/C8H4F4O/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-4H
InChI Key:	MITVIZWTPVYRDO-UHFFFAOYSA-N
Boiling Point:	166.6 °C at 760 mmHg
Density:	1.214 g/cm³
Appearance:	Solid
MDL:	MFCD00236276
LogP:	2.65700

Publication Number	Title	Priority Date
AU-2018334290-A1	Pyridazinones and methods of use thereof	20170918
WO-2019055966-A2	PYRIDAZINONES AND METHODS OF USE	20170918
EP-3684364-A2	Pyridazinones and methods of use thereof	20170918
WO-2017145050-A1	Pyridylpyridone derivative useful as a ret kinase inhibitor in the treatment of ibs and cancer	20160223
US-2017360801-A1	Bromodomain inhibitor as adjuvant in cancer immunotherapy	20141205

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Related Functional Groups

Carbonyl Compounds

[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

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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:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.01982740
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.01982740
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4