2-Methyl-4,6,8-trichloroquinoline - CAS 1204-14-4

Catalog:	BB004861
Product Name:	2-Methyl-4,6,8-trichloroquinoline
CAS:	1204-14-4
Synonyms:	4,6,8-trichloro-2-methylquinoline

Technical Data

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Computed Properties

IUPAC Name:	4,6,8-trichloro-2-methylquinoline
Description:	2-Methyl-4,6,8-trichloroquinoline (CAS# 1204-14-4) is a useful research chemical.
Molecular Weight:	246.52
Molecular Formula:	C10H6Cl3N
Canonical SMILES:	CC1=NC2=C(C=C(C=C2C(=C1)Cl)Cl)Cl
InChI:	InChI=1S/C10H6Cl3N/c1-5-2-8(12)7-3-6(11)4-9(13)10(7)14-5/h2-4H,1H3
InChI Key:	MLCCGRNOVHTMML-UHFFFAOYSA-N
Density:	1.459 g/cm³
LogP:	4.50340

Publication Number	Title	Priority Date
WO-2008117079-A1	Antimicrobial compounds based upon 4-aminoquinoline	20070328
HU-0401607-A2	Synthesis of aminoquinoline derivatives and of their starting materials	20040810
CS-274277-B2	Fungicide and method of its active substance production	19860514
EP-0221947-A1	TRIAZOLYLCHINOLINE COTTONS.	19850507
FI-88920-B	Novel triazolylquinoline derivatives, a process for preparing them, and fungicidal compositions comprising them	19850507

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.956582
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	244.956582
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5