7-Chloroquinaldine - CAS 4965-33-7

Catalog:	BB026768
Product Name:	7-Chloroquinaldine
CAS:	4965-33-7
Synonyms:	7-chloro-2-methylquinoline

Technical Data

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Computed Properties

IUPAC Name:	7-chloro-2-methylquinoline
Description:	7-Chloroquinaldine (CAS# 4965-33-7) is used as the starting material in the synthesis of (E)-1-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-2-propen-1-ol (C381415); an intermediate in the synthesis of the antiasthmatic, Montelukast Sodium Salt (M568000).
Molecular Weight:	177.63
Molecular Formula:	C10H8ClN
Canonical SMILES:	CC1=NC2=C(C=C1)C=CC(=C2)Cl
InChI:	InChI=1S/C10H8ClN/c1-7-2-3-8-4-5-9(11)6-10(8)12-7/h2-6H,1H3
InChI Key:	WQZQFYRSYLXBGP-UHFFFAOYSA-N
Boiling Point:	278.2 °C at 760 mmHg
Density:	1.225 g/cm³
MDL:	MFCD00075436
LogP:	3.19660

Publication Number	Title	Priority Date
CN-113264876-A	Method for selectively catalyzing and hydrogenating aromatic heterocyclic compounds by non-hydrogen participation	20210528
CN-112679474-A	Ratio type fluorescent probe and preparation method and application thereof	20201208
CN-112047925-A	Preparation method of N- (aryl/heteroaryl) alkyl-diamide	20200916
CN-112047925-B	Preparation method of N- (aryl/heteroaryl) alkyl-diamide	20200916
CN-111960997-A	Method for synthesizing hydroxyalkyl substituted quinoline derivatives	20200907

PMID	Publication Date	Title	Journal
16999393	20061002	Synthesis of the first rNHC (remote N-heterocyclic carbene) complexes with no heteroatom in the carbene carbon-containing ring	Inorganic chemistry

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Related Functional Groups

Quinaldines

[826-81-3]
2-Methyl-8-quinolinol
[4295-06-1]
4-Chloroquinaldine

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.0345270
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	177.0345270
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2