2-Chloro-6,7-dimethylquinoline-3-carboxaldehyde - ≥98% , CAS No.94856-39-0

CAS: 94856-39-0 Cat. No.: C479883 Molecular Weight: 219.67 EC Number: 809-591-7
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
2-Chloro-6,7-dimethylquinoline-3-carboxaldehyde, AldrichCPR | AG-690/40698033 | 2-Chloro-6,7-dimethyl-quinoline-3-carbaldehyde | 2-chloro-6,7-dimethylquinoline-3-carbaldehyde | MLS000556646 | 2-Chloro-6,7-dimethylquinoline-3-carboxaldehyde | AKOS000589549
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
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Size
Status
Price
Qty
250mg
C479883-250mg
2
$169.90
1g
C479883-1g
2
$268.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
2-Chloro-6, 7-dimethylquinoline-3-carboxaldehyde, AldrichCPR | AG-690/40698033 | 2-Chloro-6, 7-dimethyl-quinoline-3-carbaldehyde | 2-chloro-6, 7-dimethylquinoline-3-carbaldehyde | MLS000556646 | 2-Chloro-6, 7-dimethylquinoline-3-carboxaldehyde | AKOS000589549
Specifications & Purity
≥98%
Legal Information
Product of BioBlocks
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Canonical SmilesCC1=CC2=CC(=C(N=C2C=C1C)Cl)C=O
IUPAC Name2-chloro-6,7-dimethylquinoline-3-carbaldehyde
InChIKeyMRKMNOLGKUJUSJ-UHFFFAOYSA-N
INCHI1S/C12H10ClNO/c1-7-3-9-5-10(6-15)12(13)14-11(9)4-8(7)2/h3-6H,1-2H3
Isomeric SMILES CC1=CC2=CC(=C(N=C2C=C1C)Cl)C=O
WGK Germany 3
Molecular Weight 219.67
Reaxy-Rn 10158552
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10158552&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassQuinolines and derivatives
SubclassHaloquinolines
Intermediate Tree Nodes Not available
Direct ParentChloroquinolines
Alternative Parents Pyridine carboxaldehydes  Aryl-aldehydes  2-halopyridines  Benzenoids  Aryl chlorides  Vinylogous halides  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Chloroquinoline - 3-pyridine carboxaldehyde - 2-halopyridine - Aryl-aldehyde - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous halide - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP2C19 Tchem Cytochrome P450 2C19 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot NumberCertificate TypeDateItem
J2520531Certificate of AnalysisAug 15, 2025 C479883
J2520543Certificate of AnalysisAug 15, 2025 C479883
Chemical and Physical Properties
Molecular Weight219.660 g/mol
XLogP33.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass219.045 Da
Monoisotopic Mass219.045 Da
Topological Polar Surface Area30.000 Ų
Heavy Atom Count15
Formal Charge0
Complexity246.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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