6-Bromo-2,3-dihydroquinolin-4(1H)-one - CAS 76228-06-3

Catalog:	BB035526
Product Name:	6-Bromo-2,3-dihydroquinolin-4(1H)-one
CAS:	76228-06-3
Synonyms:	6-bromo-2,3-dihydro-1H-quinolin-4-one; 6-bromo-2,3-dihydro-1H-quinolin-4-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-bromo-2,3-dihydro-1H-quinolin-4-one
Description:	6-Bromo-2,3-dihydroquinolin-4(1H)-one (CAS# 76228-06-3) is a useful research chemical.
Molecular Weight:	226.07
Molecular Formula:	C9H8BrNO
Canonical SMILES:	C1CNC2=C(C1=O)C=C(C=C2)Br
InChI:	InChI=1S/C9H8BrNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-2,5,11H,3-4H2
InChI Key:	WAFBCQPOMZIGTJ-UHFFFAOYSA-N
Boiling Point:	359.1 °C at 760 mmHg
Density:	1.559 g/cm³
MDL:	MFCD00600620
LogP:	2.58540

Publication Number	Title	Priority Date
WO-2021155316-A1	Compounds and uses thereof	20200129
WO-2021155320-A1	Compounds and uses thereof	20200129
CN-108794396-B	Oxidation method of 4-oxo-2, 3-dihydroquinoline compound	20180706
WO-2019144805-A1	Substituted phenylethylamine compound and preparation method and use thereof	20180125
WO-2019089412-A1	Novel substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (ido) inhibitors	20171101

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

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

Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.97893
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	224.97893
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1