7-Chloro-2,4-dimethylquinoline - CAS 88499-96-1

Catalog:	BB038894
Product Name:	7-Chloro-2,4-dimethylquinoline
CAS:	88499-96-1
Synonyms:	7-chloro-2,4-dimethylquinoline

Technical Data

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Computed Properties

IUPAC Name:	7-chloro-2,4-dimethylquinoline
Description:	7-Chloro-2,4-dimethylquinoline (CAS# 88499-96-1) is a useful research chemical.
Molecular Weight:	191.66
Molecular Formula:	C11H10ClN
Canonical SMILES:	CC1=CC(=NC2=C1C=CC(=C2)Cl)C
InChI:	InChI=1S/C11H10ClN/c1-7-5-8(2)13-11-6-9(12)3-4-10(7)11/h3-6H,1-2H3
InChI Key:	ZUQZYIPMTITDFX-UHFFFAOYSA-N
Boiling Point:	299.2 °C at 760 mmHg
Density:	1.188 g/cm³
LogP:	3.50500

Publication Number	Title	Priority Date
HU-0401607-A2	Synthesis of aminoquinoline derivatives and of their starting materials	20040810
EP-1373199-A2	Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteinases and tnf-alpha converting enzyme (tage)	20010315
EP-1373199-A4	SPIROCYCLIC BETA-AMINOACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND THE CONVERSION ENZYME OF TNF-ALPHA (TAGE)	20010315
US-2003087882-A1	Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE)	20010315
US-2004132693-A1	Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE)	20010315

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Related Functional Groups

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[4038-97-5]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning 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+P317, P305+P354+P338, P317, P330, 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:	191.050177
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.050177
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6