2-Chloro-6-methoxypurine - ≥95% , CAS No.1198-46-5

CAS: 1198-46-5 Cat. No.: C691377 Molecular Weight: 184.58 PubChem CID: 640871
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
2-Chloro-6-methoxypurine | 2-chloro-6-methoxy-9H-purine | 2-chloro-6-methoxy-7H-purine | 9H-purine, 2-chloro-6-methoxy- | MFCD20692004 | 2-Chloro-6-(methoxy)purine | SCHEMBL1443986 | SCHEMBL1443987 | SCHEMBL31380770 | BAA19846
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
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Size
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Price
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100mg
C691377-100mg
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$41.90
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250mg
C691377-250mg
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1g
C691377-1g
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$143.90

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5g
C691377-5g
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$538.90

$808.90
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
2-Chloro-6-methoxypurine | 2-chloro-6-methoxy-9H-purine | 2-chloro-6-methoxy-7H-purine | 9H-purine, 2-chloro-6-methoxy- | MFCD20692004 | 2-Chloro-6-(methoxy)purine | SCHEMBL1443986 | SCHEMBL1443987 | SCHEMBL31380770 | BAA19846
Specifications & Purity
≥95%
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
≥95%
Names and Identifiers
Canonical SmilesCOC1=NC(=NC2=C1NC=N2)Cl
IUPAC Name2-chloro-6-methoxy-7H-purine
InChIKeyMTDSMFYWSAISJR-UHFFFAOYSA-N
INCHI1S/C6H5ClN4O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H,8,9,10,11)
Isomeric SMILES COC1=NC(=NC2=C1NC=N2)Cl
PubChem CID 640871
Molecular Weight 184.58

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.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassImidazopyrimidines
SubclassPurines and purine derivatives
Intermediate Tree Nodes Purinones
Direct ParentHypoxanthines
Alternative Parents Alkyl aryl ethers  2-halopyrimidines  Aryl chlorides  Imidazoles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Hypoxanthine - Alkyl aryl ether - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Ether - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Mycobacterium avium (4587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mycobacterium tuberculosis (203094 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
K2526265Certificate of AnalysisSep 28, 2025 C691377
K2526399Certificate of AnalysisSep 28, 2025 C691377
Chemical and Physical Properties
Molecular Weight184.580 g/mol
XLogP31.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass184.015 Da
Monoisotopic Mass184.015 Da
Topological Polar Surface Area63.700 Ų
Heavy Atom Count12
Formal Charge0
Complexity170.000
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
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