1-bromo-2-(2-chloroethoxy)-3,5-difluorobenzene

• ChemBase ID: 8833
• Molecular Formular: C8H6BrClF2O
• Molecular Mass: 271.4864464
• Monoisotopic Mass: 269.92586093
• SMILES: O(c1c(cc(cc1Br)F)F)CCCl
• Canonical SMILES: ClCCOc1c(F)cc(cc1Br)F
• InChI: InChI=1S/C8H6BrClF2O/c9-6-3-5(11)4-7(12)8(6)13-2-1-10/h3-4H,1-2H2
• InChIKey: QRNJNYWUYRMEPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-(2-chloroethoxy)-3,5-difluorobenzene
• IUPAC Traditional name: 1-bromo-2-(2-chloroethoxy)-3,5-difluorobenzene
• Synonyms: 1-(2-Bromo-4,6-difluorophenoxy)-2-chloroethane; 1-(2-Bromo-4,6-difluorophenoxy)-2-chloroethane; 1-Bromo-2-(2-chloroethoxy)-3,5-difluorobenzene 97%; 1-BroMo-2-(2-chloroethoxy)-3,5-difluorobenzene

Database IDs

• CAS Number: 175203-19-7
• MDL Number: MFCD00068037
• PubChem SID: 160972140
• PubChem CID: 2736294

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.534221
• LogD (pH = 7.4): 3.534221
• Log P: 3.534221
• Molar Refractivity: 49.9201 cm^3
• Polarizability: 19.16625 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 119-122°C/15mm

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive
• TSCA Listed: false

Product Information

• Purity: 97%