4-Bromo-2-chloropyrimidine - ≥95% , CAS No.885702-34-1

CAS: 885702-34-1 Cat. No.: B590540 Summenformel: C₄H₂N₂ClBr Molekulargewicht: 193.43 EG-Nummer: 807-846-7

GRADE & PURITY ≥95%

Synonyms

BBL103541 | MFCD08272196 | 2-chloro-4-bromopyrimidine | AMY23763 | SCHEMBL416458 | EN300-136206 | A846743 | STL557351 | AKOS006286025 | 4-BROMO-2-CHLOROPYRIMIDINE | 4-bromo-2-chloro-pyrimidine | FBEBVAQOMVWORE-UHFFFAOYSA-N | SB57393 | DS-15437 | FT-069611

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

Product Application:

Used as an primary and secondary intermediate for pharmaceutical, organic synthesis.

Specifications

Synonyme

BBL103541 | MFCD08272196 | 2-chloro-4-bromopyrimidine | AMY23763 | SCHEMBL416458 | EN300-136206 | A846743 | STL557351 | AKOS006286025 | 4-BROMO-2-CHLOROPYRIMIDINE | 4-bromo-2-chloro-pyrimidine | FBEBVAQOMVWORE-UHFFFAOYSA-N | SB57393 | DS-15437 | FT-069611

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 528756825
• Kanonisches Lächeln: C1=CN=C(N=C1Br)Cl
• IUPAC Name: 4-bromo-2-chloropyrimidine
• InChIKey: FBEBVAQOMVWORE-UHFFFAOYSA-N
• INCHI: 1S/C4H2BrClN2/c5-3-1-2-7-4(6)8-3/h1-2H
• Isomere SMILES: C1=CN=C(N=C1Br)Cl
• Alternative CAS-Nummer: 885702-34-1
• Molekulargewicht: 193.43
• Reaxy-Rn: 10334333
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10334333&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Ebene5 Halopyrimidines
          • Ebene6 2-halopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Halopyrimidines
• Direct Parent: 2-halopyrimidines
• Alternative Parents: Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic 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 - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water.
• Molekulargewicht: 193.430 g/mol
• XLogP3: 2.200
• 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: 80.400
• 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