5-Bromo-2-chloropyrimidine - ≥97% , CAS No.32779-36-5

CAS: 32779-36-5 Cat. No.: B113805 Peso molecular: 193.43 Beilstein Registry Number: 23(5)3,348 Número EC: 629-214-8

GRADE & PURITY ≥97%

Synonyms

SB20214 | AKOS004911284 | 5-bromo-2-chloropyrimidin | F0001-0970 | HY-76897 | MFCD00483232 | PS-4903 | 2-Chloro-5-bromopyrimidine | 2-chloro-5-bromo-pyrimidine | DTXSID50345731 | 5-bromo-2-chloro pyrimidine | 5-Bromo-2-chloropyrimidine | 5-bromo-2-chloro-

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

SB20214 | AKOS004911284 | 5-bromo-2-chloropyrimidin | F0001-0970 | HY-76897 | MFCD00483232 | PS-4903 | 2-Chloro-5-bromopyrimidine | 2-chloro-5-bromo-pyrimidine | DTXSID50345731 | 5-bromo-2-chloro pyrimidine | 5-Bromo-2-chloropyrimidine | 5-bromo-2-chloro-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488190681
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190681
• Sonrisas canónicas: C1=C(C=NC(=N1)Cl)Br
• IUPAC Name: 5-bromo-2-chloropyrimidine
• InChIKey: XPGIBDJXEVAVTO-UHFFFAOYSA-N
• INCHI: 1S/C4H2BrClN2/c5-3-1-7-4(6)8-2-3/h1-2H
• Isómeros SMILES: C1=C(C=NC(=N1)Cl)Br
• WGK Alemania: 3
• Peso molecular: 193.43
• Beilstein: 23(5)3,348
• Reaxy-Rn: 507955
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507955&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Halopyrimidines
• Direct Parent: 2-halopyrimidines
• Alternative Parents: Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyrimidine - Aryl halide - Aryl chloride - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water. Slightly soluble in DMSO and methanol.
• Sensibilidad: Light & Air sensitive
• Punto de ebullición (°C): 95°C/15mmHg
• Punto de fusión (°C): 78-80°C
• Peso molecular: 193.430 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 191.909 Da
• Monoisotopic Mass: 191.909 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.400
• 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