2-chloro-9H-purine - ≥97% , CAS No.1681-15-8

CAS: 1681-15-8 Cat. No.: C174896 Molecular Weight: 154.56 EC Number: 823-748-7
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
2-[(4-HYDROXYPHENYL)THIO]BUT-2-ENEDIOICACID | SDCCGMLS-0065582.P001 | 2-chloro-1H-purine | L-glutamic acid 1,5-dibenzyl ester p-toluenesulfonate | SMR000354563 | FD13052 | MFCD00194007 | 2-chloro-9H-purine | 2-chloro-7H-purine | GS-4538 | HMS2655P18 | Tox
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
C174896-250mg
1

$14.90

$22.90
Save $8.00 (34.93%)
1g
C174896-1g
1

$41.90

$62.90
Save $21.00 (33.39%)
5g
C174896-5g
1

$163.90

$245.90
Save $82.00 (33.35%)
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C 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.

📚

Literature proof

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

Specifications

Synonyms
2-[(4-HYDROXYPHENYL)THIO]BUT-2-ENEDIOICACID | SDCCGMLS-0065582.P001 | 2-chloro-1H-purine | L-glutamic acid 1, 5-dibenzyl ester p-toluenesulfonate | SMR000354563 | FD13052 | MFCD00194007 | 2-chloro-9H-purine | 2-chloro-7H-purine | GS-4538 | HMS2655P18 | Tox
Specifications & Purity
≥97%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Canonical SmilesC1=C2C(=NC(=N1)Cl)N=CN2
IUPAC Name2-chloro-7H-purine
InChIKeyJBMBVWROWJGFMG-UHFFFAOYSA-N
INCHI1S/C5H3ClN4/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H,7,8,9,10)
Isomeric SMILES C1=C2C(=NC(=N1)Cl)N=CN2
Molecular Weight 154.56
Reaxy-Rn 5055
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5055&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.

Look up COA →

📊 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
ClassImidazopyrimidines
SubclassPurines and purine derivatives
Intermediate Tree Nodes Not available
Direct ParentPurines and purine derivatives
Alternative Parents 2-halopyrimidines  Aryl chlorides  Imidazoles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Purine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
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.

1 results found

Lot NumberCertificate TypeDateItem
J2422397Certificate of AnalysisSep 02, 2024 C174896
Chemical and Physical Properties
Molecular Weight154.560 g/mol
XLogP31.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass154.005 Da
Monoisotopic Mass154.005 Da
Topological Polar Surface Area54.500 Ų
Heavy Atom Count10
Formal Charge0
Complexity131.000
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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