2'-Chloro-6'-fluoroacetophenone - CAS 87327-69-3

Catalog:	BB038375
Product Name:	2'-Chloro-6'-fluoroacetophenone
CAS:	87327-69-3
Synonyms:	1-(2-chloro-6-fluorophenyl)ethanone; 1-(2-chloro-6-fluorophenyl)ethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(2-chloro-6-fluorophenyl)ethanone
Description:	2'-Chloro-6'-fluoroacetophenone (CAS# 87327-69-3) is a useful research chemical.
Molecular Weight:	172.58
Molecular Formula:	C8H6ClFO
Canonical SMILES:	CC(=O)C1=C(C=CC=C1Cl)F
InChI:	InChI=1S/C8H6ClFO/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3
InChI Key:	DNVGZKIRMBCQEQ-UHFFFAOYSA-N
Boiling Point:	191.8 °C at 760 mmHg
Density:	1.258 g/cm³
MDL:	MFCD01631390
LogP:	2.68170

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WO-2020146636-A1	Compounds and methods for treating or preventing heart failure	20190109
WO-2019242689-A1	Cyano-substituted pyridine and cyano-substituted pyrimidine compound, and preparation method and application thereof	20180622

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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
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.0091207
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.0091207
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3