2,4-Dichloro-5-methoxypyrimidine - ≥98% , CAS No.19646-07-2

CAS: 19646-07-2 Cat. No.: D119148 Molecular Weight: 179 Beilstein Registry Number: 23(5)11,125 EC Number: 628-558-6

GRADE & PURITY ≥98%

Synonyms

AKOS005256731 | MFCD02685670 | SCHEMBL145005 | 5-METHOXY-2,4-DICHLOROPYRIMIDINE | AB12653 | SY003225 | 5-METHOXY-2,4-DICHLORO PYRIMIDINE | EN300-85912 | AM20090132 | AC-2385 | AO-324/25087002 | WLN: 2OPS&O2&SR D1SPS&O2&O2 | W-206446 | 2,4-Dichloro-5-metho

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Product Application：

It is used for preparation of heteroarylpiperazine derivatives for use in treatment of Alzheimer's disease.

Specifications

Synonyms

AKOS005256731 | MFCD02685670 | SCHEMBL145005 | 5-METHOXY-2, 4-DICHLOROPYRIMIDINE | AB12653 | SY003225 | 5-METHOXY-2, 4-DICHLORO PYRIMIDINE | EN300-85912 | AM20090132 | AC-2385 | AO-324/25087002 | WLN: 2OPS&O2&SR D1SPS&O2&O2 | W-206446 | 2, 4-Dichloro-5-metho

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488190628
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190628
• Canonical Smiles: COC1=CN=C(N=C1Cl)Cl
• IUPAC Name: 2,4-dichloro-5-methoxypyrimidine
• InChIKey: ZTHHRSBDBPCCMZ-UHFFFAOYSA-N
• INCHI: 1S/C5H4Cl2N2O/c1-10-3-2-8-5(7)9-4(3)6/h2H,1H3
• Isomeric SMILES: COC1=CN=C(N=C1Cl)Cl
• WGK Germany: 3
• Molecular Weight: 179
• Beilstein: 23(5)11,125
• Reaxy-Rn: 880110
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=880110&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: 2-halopyrimidines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Halopyrimidine - 2-halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Hydrocarbon derivative - 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

Chemical and Physical Properties

• Solubility: Slightly soluble in water.
• Sensitivity: Light Sensitive,Air Sensitive
• Melt Point(°C): 66-70°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: 114.000
• 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