5-Bromopyrazine-2-carboxylic acid

Base Information

• Chemical Name: 5-Bromopyrazine-2-carboxylic acid
• CAS No.: 876161-05-6
• Molecular Formula: C5H3BrN2O2
• Molecular Weight: 202.9935
• Hs Code.: 2933990090
• ChEMBL ID: CHEMBL5191845
• DSSTox Substance ID: DTXSID80596178
• Wikidata: Q72511685
• Mol file: 876161-05-6.mol

Synonyms:5-bromopyrazine-2-carboxylic acid;876161-05-6;5-BROMO-2-PYRAZINECARBOXYLIC ACID;MFCD09909672;2-Pyrazinecarboxylicacid, 5-bromo-;2-Pyrazinecarboxylicacid,5-bromo-;2-Pyrazinecarboxylic acid, 5-bromo-;SCHEMBL1656658;CHEMBL5191845;5-bromopyrazine-2-carboxylicacid;DTXSID80596178;NPJHCKULJAIWGV-UHFFFAOYSA-N;BCP04439;RB3133;AKOS015834996;AB54768;AM62735;CS-W018782;DS-10471;SY018532;DB-077029;EN300-103725;A862503;J-516996;Z1269171110

Chemical Property of 5-Bromopyrazine-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.627
• Boiling Point: 340.997 °C at 760 mmHg
• PKA: 2.68±0.10(Predicted)
• Flash Point: 160.03 °C
• PSA: 63.08000
• Density: 1.941g/cm³
• LogP: 0.93730
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 201.93779
• Heavy Atom Count: 10
• Complexity: 142

Purity/Quality:

98% ^*data from raw suppliers

5-Bromopyrazine-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=CC(=N1)Br)C(=O)O