2,4-Dimethoxypyrimidine - ≥98%(GC) , CAS No.3551-55-1

CAS: 3551-55-1 Cat. No.: D137580 Formule: C₆H₈N₂O₂ Poids moléculaire: 140.14 Beilstein Registry Number: 23(5)13,138 Numéro CE: 670-358-6

GRADE & PURITY ≥98%(GC)

Synonyms

FT-0648550 | AMY431 | dimethoxypyrimidine | W-202456 | LD8 | 2,4-Dimethoxypyrimidine, 97% | AC-26648 | H10125 | MFCD00056028 | 980K6DH82B | AKOS015852211 | Pyrimidine, 2,4-dimethoxy- | UNII-980K6DH82B | D2327 | EN300-85211 | SY017918 | SCHEMBL12015 | Q272

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

FT-0648550 | AMY431 | dimethoxypyrimidine | W-202456 | LD8 | 2,4-Dimethoxypyrimidine, 97% | AC-26648 | H10125 | MFCD00056028 | 980K6DH82B | AKOS015852211 | Pyrimidine, 2,4-dimethoxy- | UNII-980K6DH82B | D2327 | EN300-85211 | SY017918 | SCHEMBL12015 | Q272

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 488187974
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187974
• Sourires canoniques: COC1=NC(=NC=C1)OC
• IUPAC Name: 2,4-dimethoxypyrimidine
• InChIKey: KEVRHVMWBKFGLO-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2O2/c1-9-5-3-4-7-6(8-5)10-2/h3-4H,1-2H3
• Isomères SMILES: COC1=NC(=NC=C1)OC
• WGK Allemagne: 3
• Poids moléculaire: 140.14
• Beilstein: 23(5)13,138
• Reaxy-Rn: 120747
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120747&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water
• Indice de réfraction: 1.502
• Point d'éclair (°F): 199°F
• Point d'éclair (°C): 93°C
• Point d'ébullition (°C): 204-205 °C
• Point de fusion (°C): 17°C
• Poids moléculaire: 140.140 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 140.059 Da
• Monoisotopic Mass: 140.059 Da
• Topological Polar Surface Area: 44.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 99.700
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 3551-55-1, the molecular formula is C6H8N2O2, and the molecular weight is 140.14 g/mol. InChIKey KEVRHVMWBKFGLO-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.