1,2,4,5-tetrafluoro-3-methoxybenzene

• ChemBase ID: 8062
• Molecular Formular: C7H4F4O
• Molecular Mass: 180.0996728
• Monoisotopic Mass: 180.01982763
• SMILES: c1(c(c(cc(c1F)F)F)F)OC
• Canonical SMILES: COc1c(F)c(F)cc(c1F)F
• InChI: InChI=1S/C7H4F4O/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2H,1H3
• InChIKey: AXCOCGJDERQVDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,4,5-tetrafluoro-3-methoxybenzene
• IUPAC Traditional name: 2,3,5,6-tetrafluoroanisole
• Synonyms: 1,2,4,5-Tetrafluoro-3-methoxybenzene; Methyl 2,3,5,6-tetrafluorophenyl ether; 2,3,5,6-Tetrafluoroanisole 97%; 2,3,5,6-TETRAFLUOROMETHOXY BENZENE; 1,2,4,5-Tetrafluoro-3-methoxybenzene; 2,3,5,6-Tetrafluoroanisole; 2,3,5,6-Tetrafluoroanisole; 2,3,5,6-四氟苯甲醚

Database IDs

• CAS Number: 2324-98-3
• EC Number: 219-037-0
• MDL Number: MFCD00000311
• PubChem SID: 160971369
• PubChem CID: 75351

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3863823
• LogD (pH = 7.4): 2.3863823
• Log P: 2.3863823
• Molar Refractivity: 33.3868 cm^3
• Polarizability: 12.125296 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 138°C; 144-145°C; 144-145°C
• Flash Point: 41°C; 41°C(107°F)
• Density: 1.293
• Refractive Index: 1.428; 1.4280; 1.4287

Safety Information

• Storage Warning: Flammable/Irritant; IRRITANT, FLAMMABLE
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 95+%; 97%

DETAILS

MP Biomedicals - 05221489

MP Biomedicals Rare Chemical collection