2,5-dibromopyrazine

• ChemBase ID: 51709
• Molecular Formular: C4H2Br2N2
• Molecular Mass: 237.88008
• Monoisotopic Mass: 235.85847207
• SMILES: c1(cnc(cn1)Br)Br
• Canonical SMILES: Brc1ncc(nc1)Br
• InChI: InChI=1S/C4H2Br2N2/c5-3-1-7-4(6)2-8-3/h1-2H
• InChIKey: KIYKHEOWZLJZSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dibromopyrazine
• IUPAC Traditional name: 2,5-dibromopyrazine
• Synonyms: 2,5-Dibromopyrazine; 3,6-Dibromopyrazine

Database IDs

• CAS Number: 23229-26-7
• MDL Number: MFCD08061601
• PubChem SID: 162056472
• PubChem CID: 11470421

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4864502
• LogD (pH = 7.4): 1.4864502
• Log P: 1.4864502
• Molar Refractivity: 38.6742 cm^3
• Polarizability: 14.799249 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 234°C
• Density: 2.197

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%