2-Bromo-3-methylpyrazine - ≥95% , CAS No.120984-76-1

CAS: 120984-76-1 Cat. No.: B190096 Fórmula: C₅H₅BrN₂ Peso molecular: 173.01 Número CE: 823-390-1

GRADE & PURITY ≥95%

Synonyms

J-508234 | PB10597 | A804631 | EN300-267631 | FT-0684020 | AC-5186 | DS-11648 | 2,4,7-Triamino-6-phenylteridine | DTXSID70499048 | NDBBGCAETKIKIC-UHFFFAOYSA-N | Z1198181977 | AKOS006290277 | BB 0258511 | SCHEMBL1434348 | SY023914 | MFCD08705769 | 2-Bromo-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

J-508234 | PB10597 | A804631 | EN300-267631 | FT-0684020 | AC-5186 | DS-11648 | 2,4,7-Triamino-6-phenylteridine | DTXSID70499048 | NDBBGCAETKIKIC-UHFFFAOYSA-N | Z1198181977 | AKOS006290277 | BB 0258511 | SCHEMBL1434348 | SY023914 | MFCD08705769 | 2-Bromo-

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 528757083
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528757083
• Sorrisos canónicos: CC1=NC=CN=C1Br
• IUPAC Name: 2-bromo-3-methylpyrazine
• InChIKey: NDBBGCAETKIKIC-UHFFFAOYSA-N
• INCHI: 1S/C5H5BrN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3
• SMILES isoméricas: CC1=NC=CN=C1Br
• Peso molecular: 173.01
• Reaxy-Rn: 109817
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109817&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazines
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
• 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

Propriedades químicas e físicas

• Peso molecular: 173.010 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 171.964 Da
• Monoisotopic Mass: 171.964 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 76.800
• 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