4-Chloro-7-methylquinoline - CAS 63136-61-8

Catalog:	BB032023
Product Name:	4-Chloro-7-methylquinoline
CAS:	63136-61-8
Synonyms:	4-chloro-7-methylquinoline

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-7-methylquinoline
Description:	4-Chloro-7-methylquinoline (CAS# 63136-61-8) is a reagent in the synthesis of certain 4-aminoquinoline derivatives used as antimalarials.
Molecular Weight:	177.63
Molecular Formula:	C10H8ClN
Canonical SMILES:	CC1=CC2=NC=CC(=C2C=C1)Cl
InChI:	InChI=1S/C10H8ClN/c1-7-2-3-8-9(11)4-5-12-10(8)6-7/h2-6H,1H3
InChI Key:	SLBWENCMEQRYEG-UHFFFAOYSA-N
Boiling Point:	275.6 °C at 760 mmHg
Purity:	95 %
Density:	1.225 g/cm³
LogP:	3.19660

Publication Number	Title	Priority Date
CN-111039942-A	Nitrogen-containing heterocyclic compound, and preparation method, pharmaceutical composition and application thereof	20181012
AU-2016371014-A1	Polycyclic TLR7/8 antagonists and use thereof in the treatment of immune disorders	20151217
CA-3005766-A1	Polycyclic tlr7/8 antagonists and use thereof in the treatment of immune disorders	20151217
EP-3390389-A1	Polycyclic tlr7/8 antagonists and use thereof in the treatment of immune disorders	20151217
TW-201730175-A	TLR7/8 antagonist and its use	20151217

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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

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:	2.5