6-bromopyrazin-2-ol - ≥97% , CAS No.859063-85-7

CAS: 859063-85-7 Cat. No.: B634720 Formula: C₄H₃BrN₂O Molecular Weight: 174.98 EC Number: 826-018-6 PubChem CID: 45788335

GRADE & PURITY ≥97%

Synonyms

AS-78485 | 6-Bromopyrazin-2(1H)-one | 6-Bromo-2(1H)-pyrazinone | SY162223 | 2-Bromo-6-hydroxypyrazine | SCHEMBL17687946 | 6-bromo-1,2-dihydropyrazin-2-one | P20532 | 6-bromo-1H-pyrazin-2-one | 6-bromopyrazin-2-ol | AKOS015945698 | MFCD11869504 | EN300-160

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AS-78485 | 6-Bromopyrazin-2(1H)-one | 6-Bromo-2(1H)-pyrazinone | SY162223 | 2-Bromo-6-hydroxypyrazine | SCHEMBL17687946 | 6-bromo-1,2-dihydropyrazin-2-one | P20532 | 6-bromo-1H-pyrazin-2-one | 6-bromopyrazin-2-ol | AKOS015945698 | MFCD11869504 | EN300-160

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=C(NC(=O)C=N1)Br
• IUPAC Name: 6-bromo-1H-pyrazin-2-one
• InChIKey: QCGHZWCRHNVMGM-UHFFFAOYSA-N
• INCHI: 1S/C4H3BrN2O/c5-3-1-6-2-4(8)7-3/h1-2H,(H,7,8)
• Isomeric SMILES: C1=C(NC(=O)C=N1)Br
• Alternate CAS: 859063-85-7
• PubChem CID: 45788335
• Molecular Weight: 174.98

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 Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine - Aryl halide - Aryl bromide - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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

• Molecular Weight: 174.980 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 173.943 Da
• Monoisotopic Mass: 173.943 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 173.000
• 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

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 859063-85-7, the molecular formula is C4H3BrN2O, and the molecular weight is 174.98 g/mol. InChIKey QCGHZWCRHNVMGM-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.