4-Chloro-2,8-dimethylquinoline - CAS 32314-39-9

Catalog:	BB021253
Product Name:	4-Chloro-2,8-dimethylquinoline
CAS:	32314-39-9
Synonyms:	4-chloro-2,8-dimethylquinoline

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-2,8-dimethylquinoline
Description:	4-Chloro-2,8-dimethylquinoline (CAS# 32314-39-9) is a useful research chemical.
Molecular Weight:	191.66
Molecular Formula:	C11H10ClN
Canonical SMILES:	CC1=CC=CC2=C1N=C(C=C2Cl)C
InChI:	InChI=1S/C11H10ClN/c1-7-4-3-5-9-10(12)6-8(2)13-11(7)9/h3-6H,1-2H3
InChI Key:	ILOAZUIOTZZIBK-UHFFFAOYSA-N
Boiling Point:	283.5 °C at 760 mmHg
Melting Point:	182-186 °C
Purity:	95 %
Density:	1.188 g/cm³
MDL:	MFCD00272394
LogP:	3.50500

Publication Number	Title	Priority Date
EP-3186250-A1	Substituted pyrazino[2,1-a]isoquinoline derivatives for the treatment of cns disorders	20140827
EP-3186250-B1	Substituted pyrazino[2,1-a]isoquinoline derivatives for the treatment of cns disorders	20140827
US-10316036-B2	Substituted pyrazino[2,2-a]isoquinoline derivatives	20140827
US-2017145010-A1	SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES	20140827
US-2018037582-A1	SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES	20140827

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Related Functional Groups

Quinoline/Isoquinoline

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[13676-02-3]
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[1031928-21-8]
2-Chloro-7,8-dimethyl-3-phenylquinoline
[891782-60-8]
7-Bromo-3,4-dihydro-2H-isoquinolin-1-one
[312713-96-5]
7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
[1245816-24-3]
8-(Tributylstannyl)isoquinoline

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GHS Hazard Statement:	H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.0501770
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.0501770
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6