2-Chloro-7,8-dihydroquinolin-5(6H)-one - CAS 124467-36-3

Catalog:	BB005894
Product Name:	2-Chloro-7,8-dihydroquinolin-5(6H)-one
CAS:	124467-36-3
Synonyms:	2-chloro-7,8-dihydro-6H-quinolin-5-one; 2-chloro-7,8-dihydro-6H-quinolin-5-one

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-7,8-dihydro-6H-quinolin-5-one
Description:	2-Chloro-7,8-dihydroquinolin-5(6H)-one (CAS# 124467-36-3) is a useful research chemical.
Molecular Weight:	181.62
Molecular Formula:	C9H8ClNO
Canonical SMILES:	C1CC2=C(C=CC(=N2)Cl)C(=O)C1
InChI:	InChI=1S/C9H8ClNO/c10-9-5-4-6-7(11-9)2-1-3-8(6)12/h4-5H,1-3H2
InChI Key:	GWDDFDLEOYOZLY-UHFFFAOYSA-N
Boiling Point:	325.5 °C at 760 mmHg
Density:	1.316 g/cm³
Storage:	Inert atmosphere, Room Temperature
LogP:	2.25400

Publication Number	Title	Priority Date
WO-2021158481-A1	Substituted 1,1'-biphenyl compounds and methods using same	20200203
WO-2021151062-A1	Heterocyclic compounds and uses thereof	20200124
WO-2021097139-A1	Chiral synthesis of a tertiary alcohol	20191115
WO-2020177658-A1	Method for preparing tricyclic compound, and intermediate thereof	20190301
TW-202039492-A	Method for preparing triad compound and its intermediate	20190301

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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, 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:	181.0294416
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.0294416
Rotatable Bond Count:	0
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9