2,3-dibromopyrazine

• ChemBase ID: 67595
• Molecular Formular: C4H2Br2N2
• Molecular Mass: 237.88008
• Monoisotopic Mass: 235.85847207
• SMILES: c1(c(nccn1)Br)Br
• Canonical SMILES: Brc1nccnc1Br
• InChI: InChI=1S/C4H2Br2N2/c5-3-4(6)8-2-1-7-3/h1-2H
• InChIKey: VLPBEKHOQWMYTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 95538-03-7
• MDL Number: MFCD02684897
• PubChem SID: 162033330
• PubChem CID: 13867572

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: 14.8045025 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.266

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%