4-bromo-1-chloro-2-fluorobenzene

• ChemBase ID: 6805
• Molecular Formular: C6H3BrClF
• Molecular Mass: 209.4434232
• Monoisotopic Mass: 207.909068
• SMILES: Brc1ccc(c(c1)F)Cl
• Canonical SMILES: Brc1ccc(c(c1)F)Cl
• InChI: InChI=1S/C6H3BrClF/c7-4-1-2-5(8)6(9)3-4/h1-3H
• InChIKey: AGYWDGVTLKNTBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-1-chloro-2-fluorobenzene
• IUPAC Traditional name: 4-bromo-1-chloro-2-fluorobenzene
• Synonyms: 4-Bromo-1-chloro-2-fluorobenzene; 3-Fluoro-4-chlorobromobenzene; 4-Chloro-3-fluorobromobenzene 98%; 1-Bromo-4-chloro-3-fluorobenzene; 4-Bromo-1-chloro-2-fluorobenzene; 4-溴-1-氯-2-氟苯

Database IDs

• CAS Number: 60811-18-9
• MDL Number: MFCD00042519
• Beilstein Number: 2206649
• PubChem SID: 160970112
• PubChem CID: 2724690

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.488745
• LogD (pH = 7.4): 3.488745
• Log P: 3.488745
• Molar Refractivity: 38.702 cm^3
• Polarizability: 14.968764 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 62-64°C/9mm; 62-64/9mm; 62-64°C/9mm
• Density: 1.71; 1.710
• Refractive Index: 1.555; 1.5550

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive
• 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: 97%; 98%; 99%