3-Acetyl-2,6-dichloropyridine - CAS 412018-50-9

Catalog:	BB024813
Product Name:	3-Acetyl-2,6-dichloropyridine
CAS:	412018-50-9
Synonyms:	1-(2,6-dichloro-3-pyridinyl)ethanone; 1-(2,6-dichloropyridin-3-yl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(2,6-dichloropyridin-3-yl)ethanone
Description:	3-Acetyl-2,6-dichloropyridine (CAS# 412018-50-9) is a useful research chemical.
Molecular Weight:	190.03
Molecular Formula:	C7H5Cl2NO
Canonical SMILES:	CC(=O)C1=C(N=C(C=C1)Cl)Cl
InChI:	InChI=1S/C7H5Cl2NO/c1-4(11)5-2-3-6(8)10-7(5)9/h2-3H,1H3
InChI Key:	XOEFQKGFPDZVKF-UHFFFAOYSA-N
Boiling Point:	286.732 °C at 760 mmHg
Density:	1.376 g/cm³
MDL:	MFCD11847148
LogP:	2.59100

Publication Number	Title	Priority Date
WO-2020184578-A1	NOVEL elF2Î± PHOSPHORYLATION PROMOTER	20190311
AU-2017371200-A1	Modulator of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator	20161209
CA-3012839-A1	Tetrahydroisoquinoline derivatives	20160212
TW-201741316-A	Tetrahydroisoquinoline derivative	20160212
US-10259821-B2	Tetrahydroisoquinoline derivatives	20160212

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.9748192
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.9748192
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5