2'-Chloro-5'-fluoroacetophenone - CAS 2965-16-4

Catalog:	BB020261
Product Name:	2'-Chloro-5'-fluoroacetophenone
CAS:	2965-16-4
Synonyms:	1-(2-chloro-5-fluorophenyl)ethanone; 1-(2-chloro-5-fluorophenyl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(2-chloro-5-fluorophenyl)ethanone
Description:	2'-Chloro-5'-fluoroacetophenone (CAS# 2965-16-4) is a useful research chemical.
Molecular Weight:	172.58
Molecular Formula:	C8H6ClFO
Canonical SMILES:	CC(=O)C1=C(C=CC(=C1)F)Cl
InChI:	InChI=1S/C8H6ClFO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-4H,1H3
InChI Key:	KDBNPMAKHFSEBH-UHFFFAOYSA-N
Boiling Point:	407.7 °C at 760 mmHg
Density:	1.258 g/cm³
Appearance:	Colorless to yellow clear liquid
MDL:	MFCD00042574
LogP:	2.68170

Publication Number	Title	Priority Date
WO-2019196937-A1	Selective jak2 inhibitor and application thereof	20180413
EP-3782993-A1	Selective jak2 inhibitor and application thereof	20180413
US-2021179598-A1	Selective jak2 inhibitor and application thereof	20180413
WO-2011082273-A2	Substituted pyrrolo-aminopyrimidine compounds	20091230
US-2011183971-A1	3,4-dihydro-2h-pyrazino[1,2-a]indol-1-one derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them	20080328

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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GHS Hazard Statement:	H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P332+P313, P337+P313, P362, P363, P405, and P501
Signal Word:	Danger

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