2,6-Dichloropurine - ≥98% , CAS No.5451-40-1

CAS: 5451-40-1 Cat. No.: D108835 Formula: C₅H₂Cl₂N₄ Peso molecolare: 189 Beilstein Registry Number: 9354 Numero EC: 226-681-6

GRADE & PURITY ≥98%

Synonyms

GS-3174 | KS-1014 | 2 pound not6-Dichloropurine | AI3-51950 | MFCD00077725 | 2,6 dichloropurine | BCP22487 | 9H-purine, 2,6-dichloro- | Amasust | BRL1C2459K | D2470 | EN300-94710 | N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide | 1H-Purine, 2

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

GS-3174 | KS-1014 | 2 pound not6-Dichloropurine | AI3-51950 | MFCD00077725 | 2,6 dichloropurine | BCP22487 | 9H-purine, 2,6-dichloro- | Amasust | BRL1C2459K | D2470 | EN300-94710 | N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide | 1H-Purine, 2

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504763606
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763606
• Sorrisi canonici: C1=NC2=C(N1)C(=NC(=N2)Cl)Cl
• IUPAC Name: 2,6-dichloro-7H-purine
• InChIKey: RMFWVOLULURGJI-UHFFFAOYSA-N
• INCHI: 1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
• Isomeri SMILES: C1=NC2=C(N1)C(=NC(=N2)Cl)Cl
• WGK Germania: 3
• Peso molecolare: 189
• Beilstein: 9354
• Reaxy-Rn: 9354
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9354&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Purines and purine derivatives
• Alternative Parents: 2-halopyrimidines Aryl chlorides Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic 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
• Descrizione: This 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water
• Punto di fusione (°C): 185-195 °C
• Peso molecolare: 189.000 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 187.966 Da
• Monoisotopic Mass: 187.966 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5451-40-1, the molecular formula is C5H2Cl2N4, and the molecular weight is 189 g/mol. InChIKey RMFWVOLULURGJI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.