2,6-Dibromopyrazine - ≥95% , CAS No.23229-25-6

CAS: 23229-25-6 Cat. No.: D138534 Formula: C₄H₂Br₂N₂ Molecular Weight: 237.88 EC Number: 811-014-9

GRADE & PURITY ≥95%

Synonyms

2,6-Dibromopyrazine | 2,6-dibromo-pyrazine | MFCD09834804 | JXKQTRCEKQCAGH-UHFFFAOYSA-N | SY024155 | AB52791 | BCP9000086 | STL555579 | Q-103276 | SCHEMBL4968 | EN300-102678 | AKOS007930819 | D4544 | US10246456, Example 408 | AM20070331 | FT-0650205 | BCP

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Application：

2,6-Dibromopyrazine is used as a pharmaceutical intermediate

Specifications

Synonyms

2,6-Dibromopyrazine | 2,6-dibromo-pyrazine | MFCD09834804 | JXKQTRCEKQCAGH-UHFFFAOYSA-N | SY024155 | AB52791 | BCP9000086 | STL555579 | Q-103276 | SCHEMBL4968 | EN300-102678 | AKOS007930819 | D4544 | US10246456, Example 408 | AM20070331 | FT-0650205 | BCP

Specifications & Purity

≥95%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

Pubchem Sid

504768908

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768908

Canonical Smiles

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

IUPAC Name

2,6-dibromopyrazine

InChIKey

JXKQTRCEKQCAGH-UHFFFAOYSA-N

INCHI

1S/C4H2Br2N2/c5-3-1-7-2-4(6)8-3/h1-2H

Isomeric SMILES

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

Molecular Weight

237.88

Reaxy-Rn

111784

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111784&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Air Sensitive,Heat Sensitive
• Boil Point(°C): 65 °C/1.5 mmHg
• Melt Point(°C): 53 °C
• Molecular Weight: 237.880 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 237.856 Da
• Monoisotopic Mass: 235.858 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.400
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 23229-25-6, the molecular formula is C4H2Br2N2, and the molecular weight is 237.88 g/mol. InChIKey JXKQTRCEKQCAGH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.