2,4-dibromopyrimidine

• ChemBase ID: 51065
• Molecular Formular: C4H2Br2N2
• Molecular Mass: 237.88008
• Monoisotopic Mass: 235.85847207
• SMILES: c1(nc(ccn1)Br)Br
• Canonical SMILES: Brc1ccnc(n1)Br
• InChI: InChI=1S/C4H2Br2N2/c5-3-1-2-7-4(6)8-3/h1-2H
• InChIKey: AOEHEEBFRCAFGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dibromopyrimidine
• IUPAC Traditional name: 2,4-dibromopyrimidine
• Synonyms: 2,4-Dibromopyrimidine; 2,4-Dibromopyrimidine; 2,4-二溴嘧啶

Database IDs

• CAS Number: 3921-01-5; 3921/1/5
• MDL Number: MFCD06798232
• PubChem SID: 162055828
• PubChem CID: 14976301

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0826132
• LogD (pH = 7.4): 2.0826132
• Log P: 2.0826132
• Molar Refractivity: 39.2848 cm^3
• Polarizability: 14.843825 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 316.6°C
• Density: 2.197
• Refractive Index: 1.615

Safety Information

• Storage Warning: Irritant; IRRITANT, KEEP COLD, STORED UNDER ARGON
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 97%; 98%