3-Bromo-2-hydroxyquinoline - CAS 939-16-2

Catalog:	BB041126
Product Name:	3-Bromo-2-hydroxyquinoline
CAS:	939-16-2
Synonyms:	3-bromo-1H-quinolin-2-one

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-1H-quinolin-2-one
Description:	3-Bromo-2-hydroxyquinoline (CAS# 939-16-2) is a useful research chemical.
Molecular Weight:	224.05
Molecular Formula:	C9H6BrNO
Canonical SMILES:	C1=CC=C2C(=C1)C=C(C(=O)N2)Br
InChI:	InChI=1S/C9H6BrNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-5H,(H,11,12)
InChI Key:	AGARPHPERRYPRP-UHFFFAOYSA-N
Boiling Point:	395.2 °C at 760 mmHg
Density:	1.666 g/cm³
MDL:	MFCD00234482
LogP:	2.70290

Publication Number	Title	Priority Date
WO-2021119402-A1	Compositions and methods for light-directed biomolecular barcoding	20191212
WO-2021081468-A1	A crispr-cas9 platform with an intrinsic off-switch and enhanced specificity	20191025
WO-2020245430-A1	Benzo[h][1,6] naphthyridin-2(1h)-ones as bmx inhibitors, for use against cancer	20190607
WO-2020176793-A1	Nanosensors and use thereof	20190227
WO-2020176793-A9	Nanosensors and use thereof	20190227

PMID	Publication Date	Title	Journal
19708646	20090923	Versatile synthesis and rational design of caged morpholinos	Journal of the American Chemical Society

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Related Functional Groups

Quinoline/Isoquinoline

[938459-19-9]
2-Chloro-4-methyl-7-(methylthio)quinoline
[361982-79-8]
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[91092-92-1]
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
[1535306-28-5]
6-Fluoro-8-iodoquinolin-2(1H)-one
[1203578-65-7]
7-Bromo-2-phenylquinoline
[19490-87-0]
7-Methoxy-2-methylquinoline

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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+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.96328
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	222.96328
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2