2-Chloro-6,7-dimethylquinoline-3-carboxaldehyde - CAS 94856-39-0

Catalog:	BB041567
Product Name:	2-Chloro-6,7-dimethylquinoline-3-carboxaldehyde
CAS:	94856-39-0
Synonyms:	2-chloro-6,7-dimethylquinoline-3-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-6,7-dimethylquinoline-3-carbaldehyde
Description:	2-Chloro-6,7-dimethylquinoline-3-carboxaldehyde (CAS# 94856-39-0) is a useful research chemical.
Molecular Weight:	219.67
Molecular Formula:	C12H10ClNO
Canonical SMILES:	CC1=CC2=CC(=C(N=C2C=C1C)Cl)C=O
InChI:	InChI=1S/C12H10ClNO/c1-7-3-9-5-10(6-15)12(13)14-11(9)4-8(7)2/h3-6H,1-2H3
InChI Key:	MRKMNOLGKUJUSJ-UHFFFAOYSA-N
Boiling Point:	370.8 °C at 760 mmHg
Density:	1.27 g/cm³
LogP:	3.31750

Publication Number	Title	Priority Date
RU-2284325-C2	Derivatives of phenyl-3-aminomethylquinolone-2 as inhibitors of no-synthase, method for their preparing, biologically active compounds and pharmaceutical composition based on thereof	20031217
RU-2267485-C2	Derivatives of 3-aminomethylquinolone-2 as inhibitors of no-synthetase and method for their preparing, biologically active compounds and pharmaceutical composition based on thereof	20031007
CA-1241001-A	(1h-tetrazol-5-yl)-2(1h)-quinolinones	19830325
DK-165694-B	(1H-TETRAZOL-5-YL) -TETRAZOLO- (ISO) QUINOLINES OR -OE1,8AANAPHTHYRIDINES OR PHARMACEUTICAL ACCEPTABLE SALT THEREOF	19830325
EP-0120483-A1	(1H-tetrazol-5-yl)-2(1H)-quinolinones	19830325

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Quinoline/Isoquinoline

[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[948291-36-9]
2,5-Dichloro-8-methylquinoline-3-carboxaldehyde
[938459-19-9]
2-Chloro-4-methyl-7-(methylthio)quinoline
[361982-79-8]
2-Chloro-4-methyl-7,8-dihydro-6H-cyclopenta[g]quinoline
[91092-92-1]
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.0450916
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.0450916
Rotatable Bond Count:	1
Topological Polar Surface Area:	30
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3