2,4-Dichloro-5-fluoropyrimidine - ≥98% , CAS No.2927-71-1

CAS: 2927-71-1 Cat. No.: D119251 Molecular Weight: 166.97 Beilstein Registry Number: 23(5)5,346 EC Number: 625-810-7

GRADE & PURITY ≥98%

Synonyms

BLQ52TC9PW | 2-(5-BROMOTHIEN-2-YL)ETHANAMINEHYDROBROMIDE | FT-0630162 | PYRIMIDINE, 2,4-DICHLORO-5-FLUORO- | AM20090386 | MFCD00233551 | SY003504 | 2 pound not4-Dichloro-5-fluoropyrimidine | 2,4-Dichloro-5-fluoropyrmidine | SCHEMBL190657 | AKOS002665246 |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Application：

2,4-Dichloro-5-fluoropyrimidine can be used as a starting material to synthesize:

5-fluoropyrimidine-2-carboxamides and 5-fluoropyrimidine-4-carboxamides as potential kinase inhibitors.

A series of 2,4-diamino-5-fluoropyrimidine derivatives as potential protein kinase Cθ inhibitors.

2,4-Bisanilinopyrimidine derivatives as potential aurora kinases inhibitors.

5-fluoro-N,N-bis(4-methoxyphenyl)-2,4-pyrimidinediamine by reacting with p-methoxy aniline in the presence of DIPEA.

2-chloro-5-fluoro-4-(4-fluorophenyl)pyrimidine by Suzuki coupling reaction in the presence of (4-fluorophenyl)boronic acid triphenylphosphine, and palladium(II) acetate catalyst.

5-fluoro-2-(piperidin-4-yloxy)pyrimidin-4-amine, a scaffold, which is used in the preparation of potent deoxycytidine kinase inhibitors.

Specifications

Synonyms

BLQ52TC9PW | 2-(5-BROMOTHIEN-2-YL)ETHANAMINEHYDROBROMIDE | FT-0630162 | PYRIMIDINE, 2, 4-DICHLORO-5-FLUORO- | AM20090386 | MFCD00233551 | SY003504 | 2 pound not4-Dichloro-5-fluoropyrimidine | 2, 4-Dichloro-5-fluoropyrmidine | SCHEMBL190657 | AKOS002665246 |

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758107
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758107
• Canonical Smiles: C1=C(C(=NC(=N1)Cl)Cl)F
• IUPAC Name: 2,4-dichloro-5-fluoropyrimidine
• InChIKey: WHPFEQUEHBULBW-UHFFFAOYSA-N
• INCHI: 1S/C4HCl2FN2/c5-3-2(7)1-8-4(6)9-3/h1H
• Isomeric SMILES: C1=C(C(=NC(=N1)Cl)Cl)F
• WGK Germany: 3
• Molecular Weight: 166.97
• Beilstein: 23(5)5,346
• Reaxy-Rn: 607964
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607964&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Halopyrimidines
• Direct Parent: 2-halopyrimidines
• Alternative Parents: Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyrimidine - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Flash Point(°F): 222.8 °F
• Flash Point(°C): 106 °C
• Boil Point(°C): 80°C/16mmHg
• Melt Point(°C): 39°C
• Molecular Weight: 166.970 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 165.95 Da
• Monoisotopic Mass: 165.95 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• 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