1-bromo-4-fluoro-2,3-dimethylbenzene

• ChemBase ID: 99838
• Molecular Formular: C8H8BrF
• Molecular Mass: 203.0515232
• Monoisotopic Mass: 201.97934048
• SMILES: Fc1ccc(c(c1C)C)Br
• Canonical SMILES: Fc1ccc(c(c1C)C)Br
• InChI: InChI=1S/C8H8BrF/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,1-2H3
• InChIKey: OYWLDZXWISLBMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-fluoro-2,3-dimethylbenzene
• IUPAC Traditional name: 1-bromo-4-fluoro-2,3-dimethylbenzene
• Synonyms: 6-Bromo-3-fluoro-o-xylene; 1-Bromo-2,3-dimethyl-4-fluorobenzene 97%; 6-Bromo-3-fluoro-1,2-dimethylbenzene; 6-Bromo-3-fluoro-o-xylene; 6-溴-3-氟-o-二甲苯

Database IDs

• CAS Number: 52548-00-2
• MDL Number: MFCD03789115
• PubChem SID: 162086085
• PubChem CID: 2757008

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9115431
• LogD (pH = 7.4): 3.9115431
• Log P: 3.9115431
• Molar Refractivity: 43.9796 cm^3
• Polarizability: 16.398785 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 97%