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

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Fluorinated Building Blocks

[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[459836-92-1]
3,6-Difluoro-2-methylbenzoic acid
[1011398-65-4]
6-(4-(Difluoromethoxy)phenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid
[1187874-30-1]
6-(4-(Piperazin-1-yl)-3-(trifluoromethyl)phenyl)pyridazin-3(2H)-one

Other Pyrimidines

[452-76-6]
2,4-Difluorotoluene
[351-28-0]
3'-Fluoroacetanilide
[1489-53-8]
1,2,3-Trifluorobenzene
[1160246-50-3]
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine
[67490-21-5]
2,4,6-Tri-tert-butylpyrimidine
[113583-35-0]
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

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