3-Amino-6-bromopyrazine-2-carboxylic acid - ≥98% , CAS No.486424-37-7

CAS: 486424-37-7 Cat. No.: A184736 Molecular Weight: 218 EC Number: 802-115-9

GRADE & PURITY ≥98%

Synonyms

FT-0650377 | SCHEMBL410727 | C5H4BrN3O2 | 3-Amino-6-bromopyrazine-2-carboxylicacid | AC-23733 | BCP23083 | Z1262695698 | SY013835 | AS-18379 | Q-103299 | 2-AMINO-5-BROMOPYRAZINE-3-CARBOXYLIC ACID | MFCD08275681 | AM20070356 | AB44798 | 3-Amino-6-bromopyra

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

3-Amino-6-bromopyrazine-2-carboxylic acid used to prepare 3-bromo-5-phenylpyrazine-2-amine. It serves as an intermediate in organic synthesis and pharmaceuticals.

Specifications

Synonyms

FT-0650377 | SCHEMBL410727 | C5H4BrN3O2 | 3-Amino-6-bromopyrazine-2-carboxylicacid | AC-23733 | BCP23083 | Z1262695698 | SY013835 | AS-18379 | Q-103299 | 2-AMINO-5-BROMOPYRAZINE-3-CARBOXYLIC ACID | MFCD08275681 | AM20070356 | AB44798 | 3-Amino-6-bromopyra

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504768724
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768724
• Canonical Smiles: C1=C(N=C(C(=N1)N)C(=O)O)Br
• IUPAC Name: 3-amino-6-bromopyrazine-2-carboxylic acid
• InChIKey: MTNAQEKMSVDTAQ-UHFFFAOYSA-N
• INCHI: 1S/C5H4BrN3O2/c6-2-1-8-4(7)3(9-2)5(10)11/h1H,(H2,7,8)(H,10,11)
• Isomeric SMILES: C1=C(N=C(C(=N1)N)C(=O)O)Br
• Molecular Weight: 218
• Reaxy-Rn: 147851
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=147851&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrazines
        • Level5 Pyrazine carboxylic acids and derivatives
          • Level6 Pyrazine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Pyrazine carboxylic acids and derivatives
• Direct Parent: Pyrazine carboxylic acids
• Alternative Parents: Aminopyrazines Imidolactams Aryl bromides Vinylogous amides Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Primary amines Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine carboxylic acid - Aminopyrazine - Aryl bromide - Aryl halide - Imidolactam - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Primary amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazine carboxylic acids. These are heterocyclic compounds containing a pyrazine ring substituted by one or more carboxylic acid groups.
• 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 dimethyl sulfoxide and methanol.
• Sensitivity: Light sensitive
• Melt Point(°C): 178-183°C
• Molecular Weight: 218.010 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 216.949 Da
• Monoisotopic Mass: 216.949 Da
• Topological Polar Surface Area: 89.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 166.000
• 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