2-Methyl-4,7,8-trichloroquinoline - CAS 108097-02-5

Catalog:	BB002168
Product Name:	2-Methyl-4,7,8-trichloroquinoline
CAS:	108097-02-5
Synonyms:	4,7,8-trichloro-2-methylquinoline

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Computed Properties

IUPAC Name:	4,7,8-trichloro-2-methylquinoline
Description:	2-Methyl-4,7,8-trichloroquinoline (CAS# 108097-02-5) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	246.52
Molecular Formula:	C10H6Cl3N
Canonical SMILES:	CC1=NC2=C(C=CC(=C2Cl)Cl)C(=C1)Cl
InChI:	InChI=1S/C10H6Cl3N/c1-5-4-8(12)6-2-3-7(11)9(13)10(6)14-5/h2-4H,1H3
InChI Key:	YWSNYNKOWMWXRR-UHFFFAOYSA-N
Boiling Point:	336.3 °C at 760 mmHg
Purity:	95 %
Density:	1.459 g/cm³
LogP:	4.50340

Publication Number	Title	Priority Date
CS-274277-B2	Fungicide and method of its active substance production	19860514
DD-245870-A5	Process for preparing triazoyl-chinoline derivatives	19850507
EP-0221947-A1	TRIAZOLYLCHINOLINE COTTONS.	19850507
FI-88920-B	Novel triazolylquinoline derivatives, a process for preparing them, and fungicidal compositions comprising them	19850507
FI-88920-C	New triazolylquinoline derivatives, process for their preparation and phagocidal compositions containing them	19850507

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Related Functional Groups

Quinoline/Isoquinoline

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[30740-95-5]
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[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester
[1031928-21-8]
2-Chloro-7,8-dimethyl-3-phenylquinoline
[36034-54-5]
4-Methoxyisoquinoline
[1245816-24-3]
8-(Tributylstannyl)isoquinoline

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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