2-Bromo-5-chloropyrazine - ≥97% , CAS No.912773-21-8

CAS: 912773-21-8 Cat. No.: B188063 Fórmula: C₄H₂BrClN₂ Peso molecular: 193.43 Número CE: 696-073-7

GRADE & PURITY ≥97%

Synonyms

UXCPLGLOAZWCKO-UHFFFAOYSA-N | 2-bromo-5-chloropyrazine | 2-Bromo-5-chloro-pyrazine | DTXSID50653323 | PB26374 | Q-103282 | FT-0760273 | SCHEMBL1585841 | AM20070398 | FT-0685534 | 2-Bromo-5-chloropyrazine, min. 95% | Z1198179757 | AKOS005259415 | 2-bromany

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

UXCPLGLOAZWCKO-UHFFFAOYSA-N | 2-bromo-5-chloropyrazine | 2-Bromo-5-chloro-pyrazine | DTXSID50653323 | PB26374 | Q-103282 | FT-0760273 | SCHEMBL1585841 | AM20070398 | FT-0685534 | 2-Bromo-5-chloropyrazine, min. 95% | Z1198179757 | AKOS005259415 | 2-bromany

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

508808341

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808341

Sorrisos canónicos

C1=C(N=CC(=N1)Br)Cl

IUPAC Name

2-bromo-5-chloropyrazine

InChIKey

UXCPLGLOAZWCKO-UHFFFAOYSA-N

INCHI

1S/C4H2BrClN2/c5-3-1-8-4(6)2-7-3/h1-2H

SMILES isoméricas

C1=C(N=CC(=N1)Br)Cl

Peso molecular

193.43

Reaxy-Rn

23228685

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23228685&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 chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine - Aryl halide - Aryl chloride - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - 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: 193.430 g/mol
• XLogP3: 1.600
• 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