4,6-dibromopyrimidine

• ChemBase ID: 66734
• Molecular Formular: C4H2Br2N2
• Molecular Mass: 237.88008
• Monoisotopic Mass: 235.85847207
• SMILES: c1nc(cc(n1)Br)Br
• Canonical SMILES: Brc1ncnc(c1)Br
• InChI: InChI=1S/C4H2Br2N2/c5-3-1-4(6)8-2-7-3/h1-2H
• InChIKey: CEPVZSXIONCAJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dibromopyrimidine
• IUPAC Traditional name: 4,6-dibromopyrimidine
• Synonyms: 4,6-Dibromopyrimidine; 4,6-Dibromopyrimidine; 4,6-二溴嘧啶

Database IDs

• CAS Number: 36847-10-6
• MDL Number: MFCD00233946
• PubChem SID: 162032470
• PubChem CID: 20085404

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9982847
• LogD (pH = 7.4): 1.9982847
• Log P: 1.9982847
• Molar Refractivity: 39.6523 cm^3
• Polarizability: 14.794876 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49-52°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 95%; 95+%