1,4-dibromo-2-fluoro-5-methylbenzene

• ChemBase ID: 295925
• Molecular Formular: C7H5Br2F
• Molecular Mass: 267.9210032
• Monoisotopic Mass: 265.87420238
• SMILES: Cc1cc(c(cc1Br)F)Br
• Canonical SMILES: Cc1cc(Br)c(cc1Br)F
• InChI: InChI=1S/C7H5Br2F/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3
• InChIKey: CAJWWHAZRJAYKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibromo-2-fluoro-5-methylbenzene
• IUPAC Traditional name: 1,4-dibromo-2-fluoro-5-methylbenzene
• Synonyms: 2,5-Dibromo-4-fluorotoluene; 2,5-二溴-4-氟甲苯

Database IDs

• CAS Number: 134332-29-9
• MDL Number: MFCD00044738
• PubChem SID: 180681456
• PubChem CID: 2723682

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1668744
• LogD (pH = 7.4): 4.1668744
• Log P: 4.1668744
• Molar Refractivity: 46.5612 cm^3
• Polarizability: 17.81666 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 92-94°C/1mm

Safety Information

• 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: 96%