2'-Fluoro-6'-(trifluoromethyl)acetophenone - CAS 174013-29-7

Catalog:	BB012975
Product Name:	2'-Fluoro-6'-(trifluoromethyl)acetophenone
CAS:	174013-29-7
Synonyms:	1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone
Description:	2'-Fluoro-6'-(trifluoromethyl)acetophenone (CAS# 174013-29-7) is a useful research chemical.
Molecular Weight:	206.14
Molecular Formula:	C9H6F4O
Canonical SMILES:	CC(=O)C1=C(C=CC=C1F)C(F)(F)F
InChI:	InChI=1S/C9H6F4O/c1-5(14)8-6(9(11,12)13)3-2-4-7(8)10/h2-4H,1H3
InChI Key:	IYMYYQMPOBPRPU-UHFFFAOYSA-N
Boiling Point:	200.6 °C at 760 mmHg
Density:	1.299 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00061249
LogP:	3.04710

Publication Number	Title	Priority Date
WO-2021009365-A1	Benzothiophene, thienopyridine and thienopyrimidine derivatives for the modulation of sting	20190718
US-2021214333-A1	Substituted condensed thiophenes as modulators of sting	20180516
BR-102013030049-A2	application of chalcones as antioxidant reagent in biodiesel	20131122
AU-2014204977-A1	Pyrazolyl-based carboxamides II as CRAC channel inhibitors	20130110
CA-2897560-A1	Pyrazolyl-based carboxamides ii as crac channel	20130110

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Fluorinated Building Blocks

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[452-76-6]
2,4-Difluorotoluene
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[1795420-51-7]
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[1169993-37-6]
5-Cyclopropyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole
[132182-92-4]
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-

Other Pyrimidines

[1597-32-6]
2-Amino-6-fluoropyridine
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[1160246-50-3]
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine
[77776-68-2]
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[246847-98-3]
2-Amino-5-chloro-3-fluoropyridine

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:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.03547746
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.03547746
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6