2'-Fluoro-5'-(trifluoromethyl)acetophenone - CAS 202664-53-7

Catalog:	BB015747
Product Name:	2'-Fluoro-5'-(trifluoromethyl)acetophenone
CAS:	202664-53-7
Synonyms:	1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanone; 1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanone
Description:	2'-Fluoro-5'-(trifluoromethyl)acetophenone (CAS# 202664-53-7) is a useful research chemical.
Molecular Weight:	206.14
Molecular Formula:	C9H6F4O
Canonical SMILES:	CC(=O)C1=C(C=CC(=C1)C(F)(F)F)F
InChI:	InChI=1S/C9H6F4O/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-4H,1H3
InChI Key:	PYEGOARCMCIYCW-UHFFFAOYSA-N
Boiling Point:	176.5 °C at 760 mmHg
Density:	1.299 g/cm³
MDL:	MFCD00061248
LogP:	3.04710

Publication Number	Title	Priority Date
WO-2021160109-A1	Dihydronaphthyridinone compound, and preparation method therefor and medical use thereof	20200213
TW-202000651-A	Therapeutic compounds and methods of use thereof	20180226
US-2019263786-A1	Therapeutic compounds and methods of use thereof	20180226
WO-2019165290-A1	Pyridine-sulfonamide compounds and their use against pain and related conditions	20180226
CN-112041313-A	Pyridine-sulfonamide compounds and their use against pain and related conditions	20180226

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[17746-05-3]
Undecanoyl chloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6