4,6-Dichloro-5-methoxypyrimidine - ≥97% , CAS No.5018-38-2

CAS: 5018-38-2 Cat. No.: W135158 Molecular Weight: 179 EC Number: 225-699-1 PubChem CID: 78720

GRADE & PURITY ≥97%

Synonyms

2,5-dichlorophenylsulfonyl chloride | IJQIGKLDBGKSNT-UHFFFAOYSA-N | 4,6 dichloro-5-methoxypyrimidine | AKOS005256730 | D4723 | NSC252184 | NSC-252184 | SY016071 | 3-p-Methoxyphenylpropanol | NSC 252184 | Pyrimidine,6-dichloro-5-methoxy- | AM20100227 | 4,6

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 5-dichlorophenylsulfonyl chloride | IJQIGKLDBGKSNT-UHFFFAOYSA-N | 4, 6 dichloro-5-methoxypyrimidine | AKOS005256730 | D4723 | NSC252184 | NSC-252184 | SY016071 | 3-p-Methoxyphenylpropanol | NSC 252184 | Pyrimidine, 6-dichloro-5-methoxy- | AM20100227 | 4, 6

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488185609
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185609
• Canonical Smiles: COC1=C(N=CN=C1Cl)Cl
• IUPAC Name: 4,6-dichloro-5-methoxypyrimidine
• InChIKey: IJQIGKLDBGKSNT-UHFFFAOYSA-N
• INCHI: 1S/C5H4Cl2N2O/c1-10-3-4(6)8-2-9-5(3)7/h2H,1H3
• Isomeric SMILES: COC1=C(N=CN=C1Cl)Cl
• WGK Germany: 3
• PubChem CID: 78720
• Molecular Weight: 179

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Halopyrimidine - Aryl chloride - Aryl halide - Heteroaromatic compound - Ether - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Melt Point(°C): 57 °C
• Molecular Weight: 179.000 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.97 Da
• Monoisotopic Mass: 177.97 Da
• Topological Polar Surface Area: 35.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 104.000
• 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