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Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate

Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate - CAS 120034-05-1

Catalog:	BB054776
Product Name:	Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate
CAS:	120034-05-1
Synonyms:	Methyl 5-bromo-2-hydroxynicotinate; methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	methyl 5-bromo-2-oxo-1H-pyridine-3-carboxylate
Molecular Weight:	232.031
Molecular Formula:	C7H6BrNO3
Canonical SMILES:	COC(=O)C1=CC(=CNC1=O)Br
InChI:	InChI=1S/C7H6BrNO3/c1-12-7(11)5-2-4(8)3-9-6(5)10/h2-3H,1H3,(H,9,10)
InChI Key:	TXZVFXMZHYRSDN-UHFFFAOYSA-N
Boiling Point:	319.2±37.0 °C at 760 mmHg
Melting Point:	181-183°C
Purity:	97.0%
Density:	1.7±0.1 g/cm3

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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
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one

Pyridines

[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[14993-80-7]
2-(6-Methylpyridin-2-yl)acetonitrile
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[149463-07-0]
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[153259-31-5]
2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine 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 (100%): 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:	293
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.95311
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	230.95311
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7