2-bromo-1-chloro-4-fluorobenzene

• ChemBase ID: 12361
• Molecular Formular: C6H3BrClF
• Molecular Mass: 209.4434232
• Monoisotopic Mass: 207.909068
• SMILES: c1(ccc(c(c1)Br)Cl)F
• Canonical SMILES: Fc1ccc(c(c1)Br)Cl
• InChI: InChI=1S/C6H3BrClF/c7-5-3-4(9)1-2-6(5)8/h1-3H
• InChIKey: FOCCSIJMXBTKHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1-chloro-4-fluorobenzene
• IUPAC Traditional name: 2-bromo-1-chloro-4-fluorobenzene
• Synonyms: 2-Chloro-5-fluorobromobenzene; 2-Bromo-1-chloro-4-fluorobenzene; 2-Bromo-1-chloro-4-fluorobenzene; 2-Chloro-5-fluorobromobenzene 99%; 1-Bromo-2-chloro-5-fluorobenzene; 2-Bromo-1-chloro-4-fluorobenzene; 2-溴-1-氯-4-氟苯

Database IDs

• CAS Number: 201849-15-2
• MDL Number: MFCD00061120
• PubChem SID: 160975668
• PubChem CID: 2773263

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: 14.957105 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.75
• Refractive Index: 1.5530

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37
• 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+%; 98%; 98+%