5-Bromo-2-cyanopyrimidine - ≥97% , CAS No.38275-57-9

CAS: 38275-57-9 Cat. No.: B176337 Peso molecular: 183.996 Número EC: 691-026-7

GRADE & PURITY ≥97%

Synonyms

BCP9000181 | 5-Bromopyrimidine-2-carbonitrile, AldrichCPR | PB17299 | STL556065 | AC-2981 | Z1201621894 | 5-bromanylpyrimidine-2-carbonitrile | BBL102266 | BP-13243 | J-517206 | 5-bromo-pyrimidine-2-carbonitile | BDBM496379 | AKOS006346482 | NCGC00185026-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

application：

5-Bromo-2-cyanopyrimidine is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.

Specifications

Sinónimos

BCP9000181 | 5-Bromopyrimidine-2-carbonitrile, AldrichCPR | PB17299 | STL556065 | AC-2981 | Z1201621894 | 5-bromanylpyrimidine-2-carbonitrile | BBL102266 | BP-13243 | J-517206 | 5-bromo-pyrimidine-2-carbonitile | BDBM496379 | AKOS006346482 | NCGC00185026-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488191067
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191067
• Sonrisas canónicas: C1=C(C=NC(=N1)C#N)Br
• IUPAC Name: 5-bromopyrimidine-2-carbonitrile
• InChIKey: VPQICCOHFSGBMA-UHFFFAOYSA-N
• INCHI: 1S/C5H2BrN3/c6-4-2-8-5(1-7)9-3-4/h2-3H
• Isómeros SMILES: C1=C(C=NC(=N1)C#N)Br
• Peso molecular: 183.996
• Reaxy-Rn: 775324
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=775324&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halopyrimidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Sensibilidad: Moisture sensitive.
• Peso molecular: 183.990 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 182.943 Da
• Monoisotopic Mass: 182.943 Da
• Topological Polar Surface Area: 49.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 130.000
• 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