6-Bromoquinolin-2(1H)-one - CAS 1810-66-8

Name: 6-Bromoquinolin-2(1H)-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB013784
Product Name:	6-Bromoquinolin-2(1H)-one
CAS:	1810-66-8
Synonyms:	6-bromo-1H-quinolin-2-one

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Computed Properties

IUPAC Name:	6-bromo-1H-quinolin-2-one
Description:	6-Bromoquinolin-2(1H)-one (CAS# 1810-66-8) is a useful intermediate for the synthesis of other quinoline derivatives.
Molecular Weight:	224.05
Molecular Formula:	C9H6BrNO
Canonical SMILES:	C1=CC2=C(C=CC(=O)N2)C=C1Br
InChI:	InChI=1S/C9H6BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12)
InChI Key:	YLAFBGATSQRSTB-UHFFFAOYSA-N
Boiling Point:	393.8 °C at 760 mmHg
Purity:	> 95 %
Density:	1.62 g/cm³
MDL:	MFCD08703169
LogP:	2.70290

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Related Functional Groups

Quinoline/Isoquinoline

[1936054-65-7]C11H9Cl2N
2,4-Dichloro-3,6-dimethylquinoline
[203506-30-3]C11H12N2O
2-Amino-6-methoxy-3-methylquinoline
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[1031928-21-8]C17H14ClN
2-Chloro-7,8-dimethyl-3-phenylquinoline
[77156-78-6]C13H13NO4
4-Hydroxy-6-methoxyquinoline-3-carboxylic acid ethyl ester
[1535306-28-5]C9H5FINO
6-Fluoro-8-iodoquinolin-2(1H)-one

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021127166-A1	Inhibitors of enl/af9 yeats	20191217
WO-2020259668-A1	Tricyclic compound, preparation method therefor and use thereof	20190628
US-2020354345-A1	Modulators of thr-beta and methods of use thereof	20190508
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US-11091467-B2	Modulators of THR-Î² and methods of use thereof	20190508

Complexity:	227
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