2,6-dibromopyrazine

• ChemBase ID: 66683
• Molecular Formular: C4H2Br2N2
• Molecular Mass: 237.88008
• Monoisotopic Mass: 235.85847207
• SMILES: c1(cncc(n1)Br)Br
• Canonical SMILES: Brc1cncc(n1)Br
• InChI: InChI=1S/C4H2Br2N2/c5-3-1-7-2-4(6)8-3/h1-2H
• InChIKey: JXKQTRCEKQCAGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 23229-25-6
• MDL Number: MFCD09834804
• PubChem SID: 162032420
• PubChem CID: 20361700

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: 14.799441 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 95+%; 98%