1,2-difluoro-4,5-dimethoxybenzene

• ChemBase ID: 100043
• Molecular Formular: C8H8F2O2
• Molecular Mass: 174.1447264
• Monoisotopic Mass: 174.04923594
• SMILES: Fc1c(cc(c(c1)OC)OC)F
• Canonical SMILES: COc1cc(F)c(cc1OC)F
• InChI: InChI=1S/C8H8F2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
• InChIKey: WWAOVLXLTJXDGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 203059-80-7
• MDL Number: MFCD00070789
• PubChem SID: 162086535; 24862798
• PubChem CID: 853175

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: 14.866969 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 38-42°C; 41-43 °C(lit.); 41-43°C
• Flash Point: 197.6 °F; 92 °C; 92°C; 92°C(198°F)
• Density: 1.226; 1.226 g/mL at 25 °C(lit.); 1.23

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• 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: 90%; 97%
• Linear Formula: F2C6H2(OCH3)2

DETAILS

Sigma Aldrich - 369128

Packaging
5 g in glass bottle