Quinaldoyl chloride - CAS 50342-01-3

Catalog:	BB027020
Product Name:	Quinaldoyl chloride
CAS:	50342-01-3
Synonyms:	quinoline-2-carbonyl chloride

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Computed Properties

IUPAC Name:	quinoline-2-carbonyl chloride
Description:	Quinaldoyl chloride (CAS# 50342-01-3 ) is a useful research chemical.
Molecular Weight:	191.61
Molecular Formula:	C10H6ClNO
Canonical SMILES:	C1=CC=C2C(=C1)C=CC(=N2)C(=O)Cl
InChI:	InChI=1S/C10H6ClNO/c11-10(13)9-6-5-7-3-1-2-4-8(7)12-9/h1-6H
InChI Key:	WFVMVMAUXYOQSW-UHFFFAOYSA-N
Boiling Point:	320.2 °C at 760 mmHg
Density:	1.338 g/cm³
Appearance:	Orange to brown solid
MDL:	MFCD02683554
LogP:	2.61380

Publication Number	Title	Priority Date
CN-112851547-A	Fluorenoxime ester compound, preparation method thereof and photosensitive resin composition	20191112
CN-112341359-A	Fluorenoxime ester compound, preparation method and application thereof	20190807
TW-202045163-A	Synthesis of 1,2,4-triazole derivatives as anti-inflammation substance and use thereof	20190604
WO-2020169682-A1	Hydrazide derivatives and their specific use as antibacterial agents by controlling acinetobacter baumannii bacterium	20190219
CN-113163766-A	Pest control agent composition and method of use thereof	20181102

PMID	Publication Date	Title	Journal
21577971	20090926	N,N'-Bis(2-quinolylcarbon-yl)hydrazine	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.0137915
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.0137915
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6