2-Chloro-3-chloromethylquinoline - CAS 90097-52-2

Catalog:	BB039762
Product Name:	2-Chloro-3-chloromethylquinoline
CAS:	90097-52-2
Synonyms:	2-chloro-3-(chloromethyl)quinoline

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-3-(chloromethyl)quinoline
Description:	2-Chloro-3-chloromethylquinoline (CAS# 90097-52-2) is used as a reactant in the preparation of irreversible HCV NS5B polymerase inhibitors.
Molecular Weight:	212.08
Molecular Formula:	C10H7Cl2N
Canonical SMILES:	C1=CC=C2C(=C1)C=C(C(=N2)Cl)CCl
InChI:	InChI=1S/C10H7Cl2N/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-5H,6H2
InChI Key:	UOIJHUIOTFDGNA-UHFFFAOYSA-N
Purity:	95 %
MDL:	MFCD05865134
LogP:	3.62700

Publication Number	Title	Priority Date
CN-106061480-A	Therapeutic inhibitory compounds	20131230
US-2011189127-A1	Tricyclic indole derivatives and methods of use thereof	20080613
US-8901139-B2	Tricyclic indole derivatives and methods of use thereof	20080613
AU-2008295476-A1	2, 3-Substituted Indole Derivatives for treating viral infections	20070829
AU-2008295476-B2	2, 3-Substituted Indole Derivatives for treating viral infections	20070829

PMID	Publication Date	Title	Journal
21587537	20100911	N-[(2-Chloro-3-quinol-yl)meth-yl]-4-fluoro-aniline	Acta crystallographica. Section E, Structure reports online
21587841	20100609	1-{6-Chloro-2-[(2-chloro-3-quinol-yl)meth-oxy]-4-phenyl-3-quinol-yl}ethan-1-one	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

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[361982-79-8]
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[938001-63-9]
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[13676-02-3]
2-Chloro-6-methoxyquinoline
[1031928-21-8]
2-Chloro-7,8-dimethyl-3-phenylquinoline

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GHS Hazard Statement:	H302 (97.5%): 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, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.9955546
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.9955546
Rotatable Bond Count:	1
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5