1,2,4,5-tetrafluoro-3-methyl-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene

• ChemBase ID: 9798
• Molecular Formular: C14H6F8
• Molecular Mass: 326.1846656
• Monoisotopic Mass: 326.03417595
• SMILES: c1(F)c(c(F)c(c(c1F)C)F)c1c(F)c(F)c(c(c1F)F)C
• Canonical SMILES: Fc1c(c2c(F)c(F)c(c(c2F)F)C)c(F)c(c(c1F)C)F
• InChI: InChI=1S/C14H6F8/c1-3-7(15)11(19)5(12(20)8(3)16)6-13(21)9(17)4(2)10(18)14(6)22/h1-2H3
• InChIKey: IMAVLXWSVGAOCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,4,5-tetrafluoro-3-methyl-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene
• IUPAC Traditional name: 1,2,4,5-tetrafluoro-3-methyl-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene
• Synonyms: 4,4'-Dimethyloctafluorobiphenyl; 4,4'-Dimethyloctafluorobiphenyl 97%; Octafluoro-p,p′-bitolyl; 4,4′-Dimethyloctafluorobiphenyl; 4,4'-DIMETHYL OCTAFLUORO BIPHENYL; 八氟-对,对′-联甲苯; 4,4′-二甲基八氟联苯

Database IDs

• CAS Number: 26475-18-3
• MDL Number: MFCD00000314
• PubChem SID: 160973105
• PubChem CID: 262911

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.7889295
• LogD (pH = 7.4): 5.7889295
• Log P: 5.7889295
• Molar Refractivity: 63.0078 cm^3
• Polarizability: 22.994162 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 148-149°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C14H6F8

DETAILS

MP Biomedicals - 05221906

MP Biomedicals Rare Chemical collection