2,4,6-Trichloropyrimidine - ≥98% , CAS No.3764-01-0

CAS: 3764-01-0 Cat. No.: T102746 Formula: C₄HCl₃N₂ Peso molecolare: 183.42 Beilstein Registry Number: 118284 Numero EC: 223-183-0 PubChem CID: 77378

QUALITÀ & PUREZZA ≥98%

Synonyms

EN300-15137 | Pyrimidine, 2,4,6-trichloro- | F0001-1082 | NSC 6494 | Tox21_202916 | AM20100003 | EINECS 223-183-0 | NCGC00260462-01 | 2.4.6-Trichloropyrimidin | AC-2473 | CAS-3764-01-0 | AI3-26566 | 2,6-Trichloropyrimidine | FT-0609856 | PS-5328 | 2,4,6-T

Storage

Room temperature

Shipped In

Normal

Panoramica

It is applied In selective Suzuki coupling with arylboronic acids has been reported to give 6-arylpyrimidines.

Specifiche

Sinonimi

EN300-15137 | Pyrimidine, 2,4,6-trichloro- | F0001-1082 | NSC 6494 | Tox21_202916 | AM20100003 | EINECS 223-183-0 | NCGC00260462-01 | 2.4.6-Trichloropyrimidin | AC-2473 | CAS-3764-01-0 | AI3-26566 | 2,6-Trichloropyrimidine | FT-0609856 | PS-5328 | 2,4,6-T

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528755376

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528755376

Sorrisi canonici

C1=C(N=C(N=C1Cl)Cl)Cl

IUPAC Name

2,4,6-trichloropyrimidine

InChIKey

DPVIABCMTHHTGB-UHFFFAOYSA-N

INCHI

1S/C4HCl3N2/c5-2-1-3(6)9-4(7)8-2/h1H

Isomeri SMILES

C1=C(N=C(N=C1Cl)Cl)Cl

WGK Germania

3

PubChem CID

77378

Peso molecolare

183.42

Beilstein

118284

Reaxy-Rn

118284

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: Insoluble in water.
• Punto di congelamento (°C): 22 °C
• Indice di rifrazione: 1.57
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 112℃
• Punto di ebollizione (°C): 210-215°C
• Punto di fusione (°C): 23-25°C
• Peso molecolare: 183.420 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 181.921 Da
• Monoisotopic Mass: 181.921 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 89.800
• 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