2-Bromohypoxanthine - ≥96% , CAS No.87781-93-9

CAS: 87781-93-9 Cat. No.: B468213 Summenformel: C5H3BrN4O Molekulargewicht: 215.01 EG-Nummer: 625-343-9
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GRADE & PURITY ≥96%
Synonyms
AKOS015912565 | DB04283 | 2-bromo-6,9-dihydro-1H-purin-6-one | 2-bromo-7H-purin-6-ol | Bayer 5621 | EN300-6804947 | 2-bromo-6,7-dihydro-1H-purin-6-one | SCHEMBL612210 | 6h-purin-6-one, 2-bromo-1,9-dihydro- | NSC62629 | 2-BROMO-6-HYDROXY-PURINE | 2-Bromohy
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
★
Size
Deutschland (EU)
USA*
Price
Qty
250mg
B468213-250mg
Auf Bestellung · 8–12 Wochen
84,95€
1g
B468213-1g
Auf Bestellung · 8–12 Wochen
203,83€
5g
B468213-5g
Auf Bestellung · 8–12 Wochen
812,98€
Enter a quantity for the sizes you want to add.
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Why this grade

≥96% 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

Synonyme
AKOS015912565 | DB04283 | 2-bromo-6,9-dihydro-1H-purin-6-one | 2-bromo-7H-purin-6-ol | Bayer 5621 | EN300-6804947 | 2-bromo-6,7-dihydro-1H-purin-6-one | SCHEMBL612210 | 6h-purin-6-one, 2-bromo-1,9-dihydro- | NSC62629 | 2-BROMO-6-HYDROXY-PURINE | 2-Bromohy
Spezifikationen & Reinheit
≥96%
Storage
Store at 2-8°C,Argon charged
Verschickt in
Wet ice
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Reinheit
≥96%
Namen und Kennungen
Kanonisches LächelnC1=NC2=C(N1)C(=O)NC(=N2)Br
IUPAC Name2-bromo-1,7-dihydropurin-6-one
InChIKeyONXCBJOMYNPZNI-UHFFFAOYSA-N
INCHI1S/C5H3BrN4O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H2,7,8,9,10,11)
Isomere SMILES C1=NC2=C(N1)C(=O)NC(=N2)Br
Molekulargewicht 215.01
Reaxy-Rn 7477158
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7477158&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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
KlasseImidazopyrimidines
SubclassPurines and purine derivatives
Intermediate Tree Nodes Purinones
Direct ParentHypoxanthines
Alternative Parents 6-oxopurines  Pyrimidones  2-halopyrimidines  Aryl bromides  Vinylogous amides  Imidazoles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organobromides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 6-oxopurine - Hypoxanthine - 2-halopyrimidine - Halopyrimidine - Pyrimidone - Aryl bromide - Aryl halide - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
BeschreibungThis 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-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Empfindlichkeitlight & Moisture sensitive
Molekulargewicht215.010 g/mol
XLogP30.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass213.949 Da
Monoisotopic Mass213.949 Da
Topological Polar Surface Area70.100 Ų
Heavy Atom Count11
Formal Charge0
Complexity229.000
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
Lösungsrechner
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