1,3-dibromo-5-fluoro-2-iodobenzene

• ChemBase ID: 94733
• Molecular Formular: C6H2Br2FI
• Molecular Mass: 379.7909532
• Monoisotopic Mass: 377.75520028
• SMILES: Ic1c(cc(cc1Br)F)Br
• Canonical SMILES: Fc1cc(Br)c(c(c1)Br)I
• InChI: InChI=1S/C6H2Br2FI/c7-4-1-3(9)2-5(8)6(4)10/h1-2H
• InChIKey: LIWKANDEJFABTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dibromo-5-fluoro-2-iodobenzene
• IUPAC Traditional name: 1,3-dibromo-5-fluoro-2-iodobenzene
• Synonyms: 1,3-Dibromo-5-fluoro-2-iodobenzene; 2,6-Dibromo-4-fluoroiodobenzene 97%; 2,6-Dibromo-4-fluoroiodobenzene; 1,3-Dibromo-5-fluoro-2-iodobenzene; 1,3-Dibromo-5-fluoro-2-iodobenzene; 1,3-二溴-5-氟-2-碘苯

Database IDs

• CAS Number: 62720-29-0
• MDL Number: MFCD00042232
• PubChem SID: 162081387
• PubChem CID: 2724606

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5823975
• LogD (pH = 7.4): 4.5823975
• Log P: 4.5823975
• Molar Refractivity: 54.8825 cm^3
• Polarizability: 21.764965 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128-130°C; 132-136°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 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: 97%