1-bromo-4,5-dichloro-2-fluorobenzene

• ChemBase ID: 301121
• Molecular Formular: C6H2BrCl2F
• Molecular Mass: 243.8884832
• Monoisotopic Mass: 241.87009564
• SMILES: c1c(c(cc(c1Cl)Cl)Br)F
• Canonical SMILES: Brc1cc(Cl)c(cc1F)Cl
• InChI: InChI=1S/C6H2BrCl2F/c7-3-1-4(8)5(9)2-6(3)10/h1-2H
• InChIKey: YAKOUNMAKAPKIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4,5-dichloro-2-fluorobenzene
• IUPAC Traditional name: 1-bromo-4,5-dichloro-2-fluorobenzene
• Synonyms: 4,5-Dichloro-2-fluorobromobenzene; 1-Bromo-4,5-dichloro-2-fluorobenzene

Database IDs

• CAS Number: 1000572-78-0
• MDL Number: MFCD09878158

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0927896
• LogD (pH = 7.4): 4.0927896
• Log P: 4.0927896
• Molar Refractivity: 43.5068 cm^3
• Polarizability: 16.988363 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 96%