1,4-dibromo-2,3,5,6-tetrafluorobenzene

• ChemBase ID: 8733
• Molecular Formular: C6Br2F4
• Molecular Mass: 307.8658128
• Monoisotopic Mass: 305.83028688
• SMILES: c1(F)c(F)c(Br)c(c(c1Br)F)F
• Canonical SMILES: Fc1c(Br)c(F)c(c(c1F)Br)F
• InChI: InChI=1S/C6Br2F4/c7-1-3(9)5(11)2(8)6(12)4(1)10
• InChIKey: QFTZULJNRAHOIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibromo-2,3,5,6-tetrafluorobenzene
• IUPAC Traditional name: 1,4-dibromo-2,3,5,6-tetrafluorobenzene
• Synonyms: 1,4-Dibromotetrafluorobenzene; 1,4-Dibromotetrafluorobenzene; 1,4-Dibromotetrafluorobenzene 99%; 1,4-二溴四氟苯

Database IDs

• CAS Number: 344-03-6
• EC Number: 206-448-5
• MDL Number: MFCD00000309
• PubChem SID: 24893866; 160972040
• PubChem CID: 67653

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0815587
• LogD (pH = 7.4): 4.0815587
• Log P: 4.0815587
• Molar Refractivity: 42.1692 cm^3
• Polarizability: 16.182583 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78-79°C; 78-81 °C(lit.); 78-81°C

Safety Information

• Storage Warning: IRRITANT; 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: false; 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: ≥99%; 99%
• Linear Formula: Br2C6F4

DETAILS

Sigma Aldrich - D43859

Packaging
5 g in glass bottle