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

CAS: 120984-76-1 Cat. No.: B190096 Summenformel: C₅H₅BrN₂ Molekulargewicht: 173.01 EG-Nummer: 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

Synonyme

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-

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: 528757083
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528757083
• Kanonisches Lächeln: 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
• Isomere SMILES: CC1=NC=CN=C1Br
• Molekulargewicht: 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
    • Klasse Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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