2,6-Diacetylpyridine - CAS 1129-30-2

Catalog:	BB003082
Product Name:	2,6-Diacetylpyridine
CAS:	1129-30-2
Synonyms:	1-(6-acetylpyridin-2-yl)ethanone

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-(6-acetylpyridin-2-yl)ethanone
Description:	2,6-Diacetylpyridine (CAS# 1129-30-2) is a useful research chemical.
Molecular Weight:	163.17
Molecular Formula:	C9H9NO2
Canonical SMILES:	CC(=O)C1=NC(=CC=C1)C(=O)C
InChI:	InChI=1S/C9H9NO2/c1-6(11)8-4-3-5-9(10-8)7(2)12/h3-5H,1-2H3
InChI Key:	BEZVGIHGZPLGBL-UHFFFAOYSA-N
Boiling Point:	287.2 ℃ at 760 mmHg
Melting Point:	79-82 ℃
Purity:	95 %
Density:	1.119 g/cm³
Appearance:	White crystal powder
Storage:	Store in a cool, dry place. Store in a tightly closed container.
MDL:	MFCD00006304
LogP:	1.48680

Publication Number	Title	Priority Date
WO-2021126449-A1	Broad orthogonal distribution polyethylenes for films	20191217
US-2021179650-A1	Iron Bis(Imino) Aryl Catalysts and Methods Thereof	20191216
WO-2021126692-A1	Iron bis(imino) aryl catalysts and methods thereof	20191216
US-2021016265-A1	Mixed Catalyst System	20190718
WO-2021011632-A1	Mixed catalyst system	20190718

PMID	Publication Date	Title	Journal
22969590	20120901	2,6-Diacetyl-pyridine-resorcinol (1/1)	Acta crystallographica. Section E, Structure reports online
22565295	20120618	Providing support in favor of the existence of a Pd(II)/Pd(IV) catalytic cycle in a Heck-type reaction	Chemistry (Weinheim an der Bergstrasse, Germany)
22346987	20120201	(E)-1-{6-[1-(2,6-Dimethyl-phenyl-imino)-eth-yl]pyridin-2-yl}ethanone	Acta crystallographica. Section E, Structure reports online
22199748	20111201	N,N'-Bis(2-amino-benz-yl)ethane-1,2-diaminium bis-(4-methyl-benzene-sulfonate)	Acta crystallographica. Section E, Structure reports online
22199749	20111201	N,N'-Bis(2-aza-niumylbenz-yl)ethane-1,2-diaminium tetra-chloride	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Pyridines

[153259-31-5]
2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine Hydrochloride
[4926-28-7]
2-Bromo-4-methylpyridine
[643762-61-2]
3-Bromo-2-(bromomethyl)-6-fluoropyridine
[1222533-88-1]
5-(Trifluoromethyl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
[884495-23-2]
6-Fluoro-3-iodo-2-methylpyridine
[938459-11-1]
N-Pyridin-3-ylpropane-1,3-diamine

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:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.063328530
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	163.063328530
Rotatable Bond Count:	2
Topological Polar Surface Area:	47 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9