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

CAS: 3551-55-1 Cat. No.: D137580 Fórmula: C₆H₈N₂O₂ Peso molecular: 140.14 Beilstein Registry Number: 23(5)13,138 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488187974
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187974
• Sonrisas canónicas: 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
• Isómeros SMILES: COC1=NC(=NC=C1)OC
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Índice de refracción: 1.502
• Punto de inflamación (°F): 199°F
• Punto de inflamación (°C): 93°C
• Punto de ebullición (°C): 204-205 °C
• Punto de fusión (°C): 17°C
• Peso molecular: 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

Preguntas frecuentes

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.