1-bromo-4,5-difluoro-2-methylbenzene

• ChemBase ID: 296133
• Molecular Formular: C7H5BrF2
• Molecular Mass: 207.0154064
• Monoisotopic Mass: 205.9542686
• SMILES: Cc1cc(c(cc1Br)F)F
• Canonical SMILES: Brc1cc(F)c(cc1C)F
• InChI: InChI=1S/C7H5BrF2/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3
• InChIKey: FKEURBCLFHOBDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4,5-difluoro-2-methylbenzene
• IUPAC Traditional name: 1-bromo-4,5-difluoro-2-methylbenzene
• Synonyms: 2-Bromo-4,5-difluorotoluene; 2-溴-4,5-二氟甲苯

Database IDs

• CAS Number: 875664-38-3
• EC Number: None
• MDL Number: MFCD07777160
• PubChem SID: 180681664
• PubChem CID: 44890785

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5408237
• LogD (pH = 7.4): 3.5408237
• Log P: 3.5408237
• Molar Refractivity: 39.1548 cm^3
• Polarizability: 14.56526 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.508

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: 98%