3',4',5'-Trifluoropropiophenone - CAS 220227-74-7

Catalog:	BB017288
Product Name:	3',4',5'-Trifluoropropiophenone
CAS:	220227-74-7
Synonyms:	1-Propanone, 1-(3,4,5-trifluorophenyl)-; 1-(3,4,5-Trifluorophenyl)-1-propanone; 3,4,5-Trifluoropropiophenone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(3,4,5-trifluorophenyl)propan-1-one
Molecular Weight:	188.15
Molecular Formula:	C9H7F3O
Canonical SMILES:	CCC(=O)C1=CC(=C(C(=C1)F)F)F
InChI:	InChI=1S/C9H7F3O/c1-2-8(13)5-3-6(10)9(12)7(11)4-5/h3-4H,2H2,1H3
InChI Key:	VKEOHMCVBFCMSU-UHFFFAOYSA-N
Boiling Point:	227.3±35.0°C at 760 mmHg
Purity:	≥95%
Density:	1.253±0.06 g/cm3
Appearance:	Liquid
MDL:	MFCD00083530
LogP:	2.69660

Publication Number	Title	Priority Date
AU-2018309356-A1	Dihydrooxadiazinones	20170804
CA-3071800-A1	Dihydrooxadiazinones	20170804
CN-111212647-A	Dihydroxadiazinones	20170804
EP-3661517-A1	Dihydrooxadiazinones	20170804
KR-20200036914-A	Dihydrooxadiazinone	20170804

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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
[17746-05-3]
Undecanoyl chloride
[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

Fluorinated Building Blocks

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[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
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[459836-92-1]
3,6-Difluoro-2-methylbenzoic acid

Other Pyrimidines

[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[77776-68-2]
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[113583-35-0]
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.04489933
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.04489933
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4