2-Chloro-5,8-dimethylquinoline-3-carboxaldehyde - CAS 323196-71-0

Catalog:	BB021255
Product Name:	2-Chloro-5,8-dimethylquinoline-3-carboxaldehyde
CAS:	323196-71-0
Synonyms:	2-chloro-5,8-dimethylquinoline-3-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-5,8-dimethylquinoline-3-carbaldehyde
Description:	2-Chloro-5,8-dimethylquinoline-3-carboxaldehyde (CAS# 323196-71-0) is a useful research chemical.
Molecular Weight:	219.67
Molecular Formula:	C12H10ClNO
Canonical SMILES:	CC1=C2C=C(C(=NC2=C(C=C1)C)Cl)C=O
InChI:	InChI=1S/C12H10ClNO/c1-7-3-4-8(2)11-10(7)5-9(6-15)12(13)14-11/h3-6H,1-2H3
InChI Key:	MEVWOQZZSJDOBU-UHFFFAOYSA-N
Boiling Point:	364.5 °C at 760 mmHg
Purity:	95 %
Density:	1.27 g/cm³
LogP:	3.31750

Publication Number	Title	Priority Date
AU-2017339839-A1	Substituted pyrrolidines as CFTR modulators	20161007
BR-112019007038-A2	substituted pyrrolidines as cftr modulators	20161007
CN-110035993-A	The pyrrolidines being substituted as CFTR regulator	20161007
EP-3523277-A1	Substituted pyrrolidines as cftr modulators	20161007
US-10399940-B2	Substituted pyrrolidines and methods of use	20161007

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

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
[938001-63-9]
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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