2,2,2-Trifluoro-4'-methylacetophenone - CAS 394-59-2

Catalog:	BB023990
Product Name:	2,2,2-Trifluoro-4'-methylacetophenone
CAS:	394-59-2
Synonyms:	2,2,2-trifluoro-1-(4-methylphenyl)ethanone; 2,2,2-trifluoro-1-(4-methylphenyl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	2,2,2-trifluoro-1-(4-methylphenyl)ethanone
Description:	2,2,2-Trifluoro-4'-methylacetophenone (CAS# 394-59-2) is a useful research chemical.
Molecular Weight:	188.15
Molecular Formula:	C9H7F3O
Canonical SMILES:	CC1=CC=C(C=C1)C(=O)C(F)(F)F
InChI:	InChI=1S/C9H7F3O/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5H,1H3
InChI Key:	DYILUJUELMWXAL-UHFFFAOYSA-N
Boiling Point:	70 °C (15 torr)
Density:	1.224 g/cm³
MDL:	MFCD00052338
LogP:	2.74000

Publication Number	Title	Priority Date
CN-112940226-A	Polyelectrolyte material, preparation method thereof and alkaline polyelectrolyte membrane	20210202
CN-112979926-A	Polyelectrolyte material, preparation method thereof and acidic polyelectrolyte membrane	20210202
CN-111303183-A	Synthetic method of tetracarboxylic dianhydride with fluorinated rigid structure	20200415
WO-2021202781-A1	N-heteroarylalkyl-2-(heterocyclyl and heterocyclylmethyl) acetamide derivatives as sstr4 agonists	20200331
EP-3671345-A1	Photosensitive resin composition, photosensitive dry film, and pattern forming process	20181219

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Carbonyl Compounds

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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:	190
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:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5