2,4-Dichloro-5-methylpyrimidine - ≥98% , CAS No.1780-31-0

CAS: 1780-31-0 Cat. No.: D115772 Formula: C₅H₄Cl₂N₂ Peso molecolare: 163 Beilstein Registry Number: 23(5)5,385 Numero EC: 217-227-8

GRADE & PURITY ≥98%

Synonyms

AC-2671 | 2,4-Dichloro-5-methylpyrimidine, 98% | PS-3984 | 2,4 dichloro5-methylpyrimidine | AKOS005255373 | D3613 | 2,4-dichloro-5-methyl pyrimidine | A19574 | Z1255386798 | NSC 37532 | 2,4-dichloro-5-methylpyrimdine | EN300-97035 | DQXNTSXKIUZJJS-UHFFFAO

Storage

Room temperature,Argon charged

Shipped In

Normal

Panoramica

application：

2,4-Dichloro-5-methylpyrimidine, is used in the synthesis of (2-chloro-6-methyl-pyrimidin-4-yl)-(2,3-dihydro-benzothiazol-6-yl)-amine. It can react with piperidineto produce 2-chloro-5-methyl-4-piperidin-1-yl-pyrimidine. This reaction will need solvent dioxane.

Specifications

Sinonimi

AC-2671 | 2,4-Dichloro-5-methylpyrimidine, 98% | PS-3984 | 2,4 dichloro5-methylpyrimidine | AKOS005255373 | D3613 | 2,4-dichloro-5-methyl pyrimidine | A19574 | Z1255386798 | NSC 37532 | 2,4-dichloro-5-methylpyrimdine | EN300-97035 | DQXNTSXKIUZJJS-UHFFFAO

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504754820

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754820

Sorrisi canonici

CC1=CN=C(N=C1Cl)Cl

IUPAC Name

2,4-dichloro-5-methylpyrimidine

InChIKey

DQXNTSXKIUZJJS-UHFFFAOYSA-N

INCHI

1S/C5H4Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H3

Isomeri SMILES

CC1=CN=C(N=C1Cl)Cl

WGK Germania

3

Peso molecolare

163

Beilstein

23(5)5,385

Reaxy-Rn

118669

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118669&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Halopyrimidines
          • Level6 2-halopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Halopyrimidines
• Direct Parent: 2-halopyrimidines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 2-halopyrimidines. These are aromatic compounds containing a pyrimidine ring substituted at the 2-position with a halogen atom.
• 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in chloroform, ether, ethyl acetate and toluene.
• Sensibilità: Air Sensitive
• Punto di congelamento (°C): 23 °C
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di ebollizione (°C): 109°C/11mmHg
• Punto di fusione (°C): 26-28°C
• Peso molecolare: 163.000 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 161.975 Da
• Monoisotopic Mass: 161.975 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.000
• 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