1,4-difluoro-2,5-dimethoxybenzene

• ChemBase ID: 97172
• Molecular Formular: C8H8F2O2
• Molecular Mass: 174.1447264
• Monoisotopic Mass: 174.04923594
• SMILES: Fc1c(cc(c(c1)OC)F)OC
• Canonical SMILES: COc1cc(F)c(cc1F)OC
• InChI: InChI=1S/C8H8F2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
• InChIKey: QNQUBUBFPGHXAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-difluoro-2,5-dimethoxybenzene
• IUPAC Traditional name: 1,4-difluoro-2,5-dimethoxybenzene
• Synonyms: 1,4-Difluoro-2,5-dimethoxybenzene; 1,4-Difluoro-2,5-dimethoxybenzene 98%; 1,4-二氟-2,5-二甲氧基苯

Database IDs

• CAS Number: 199866-90-5
• MDL Number: MFCD00142553
• PubChem SID: 24864020; 162083784
• PubChem CID: 2774087

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9433072
• LogD (pH = 7.4): 1.9433072
• Log P: 1.9433072
• Molar Refractivity: 39.4172 cm^3
• Polarizability: 14.868007 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119-122°C; 122-125°C; 123-125 °C(lit.)

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 99%
• Linear Formula: F2C6H2(OCH3)2

DETAILS

Sigma Aldrich - 385352

Packaging
5 g in glass bottle