1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene

• ChemBase ID: 8899
• Molecular Formular: C12Br2F8
• Molecular Mass: 455.9236256
• Monoisotopic Mass: 453.82389976
• SMILES: c1(c(c(c(c(c1F)c1c(c(c(c(c1F)F)Br)F)F)F)F)Br)F
• Canonical SMILES: Fc1c(c2c(F)c(F)c(c(c2F)F)Br)c(F)c(c(c1F)Br)F
• InChI: InChI=1S/C12Br2F8/c13-3-9(19)5(15)1(6(16)10(3)20)2-7(17)11(21)4(14)12(22)8(2)18
• InChIKey: YXLMNFVUNLCJJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
• IUPAC Traditional name: 1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
• Synonyms: 4,4'-Dibromooctafluorobiphenyl; 4,4'-Dibromooctafluorobiphenyl 99%; 4,4'-Dibromooctafluorobiphenyl; 4,4′-Dibromooctafluorobiphenyl; 4,4'-二溴八氟联苯; 4,4′-二溴八氟联苯

Database IDs

• CAS Number: 10386-84-2
• EC Number: 233-847-1
• MDL Number: MFCD00000310
• PubChem SID: 160972206; 24846559
• PubChem CID: 82600

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.299592
• LogD (pH = 7.4): 6.299592
• Log P: 6.299592
• Molar Refractivity: 68.171 cm^3
• Polarizability: 26.15934 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 113-115 °C(lit.); 113-115°C; 113-115°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• UN Number: 3152; UN3152
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 2; II
• Risk Statements: 36/37/38; 52/53
• Safety Statements: 26-36; 61
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H402-H412
• GHS Precautionary statements: P261-P305 + P351 + P338; P273-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3152 9/PG 2

Product Information

• Purity: 97%; 98%; 99%
• Linear Formula: BrC6F4C6F4Br

DETAILS

Sigma Aldrich - 101990

Packaging
1, 5 g in glass bottle