tribromo(fluoro)methane

• ChemBase ID: 10015
• Molecular Formular: CBr3F
• Molecular Mass: 270.7211032
• Monoisotopic Mass: 267.75341422
• SMILES: FC(Br)(Br)Br
• Canonical SMILES: FC(Br)(Br)Br
• InChI: InChI=1S/CBr3F/c2-1(3,4)5
• InChIKey: IHZAEIHJPNTART-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tribromo(fluoro)methane
• IUPAC Traditional name: tribromofluoromethane
• Synonyms: Tribromofluoromethane; Fluorotribromomethane; Halon 1103; Tribromo-fluoro-methane; Fluorotribromomethane; Halon 1103, FC-11B3, R 11B3; Tribromofluoromethane; 氟三溴甲烷; 三溴氟甲烷; 一氟三溴甲烷

Database IDs

• CAS Number: 353-54-8
• EC Number: 206-535-8
• MDL Number: MFCD00000366
• Beilstein Number: 1732796
• PubChem SID: 160973322; 24854781
• PubChem CID: 67707
• Chemspider ID: 61026
• Wikipedia Title: Tribromofluoromethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1591713
• LogD (pH = 7.4): 3.1591713
• Log P: 3.1591713
• Molar Refractivity: 2.3038 cm^3
• Polarizability: 12.205731 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless liquid
• Melting Point: -73 °C (200 K); -73.6 °C(lit.); -74.6°C; -74°C
• Boiling Point: 106°C; 106-107 °C(lit.); 106-107°C; 108 °C (381 K)
• Flash Point: None
• Density: 2.765; 2.765 g/mL at 25 °C(lit.); 2.7650 g/cm^3 at 25 °C1.8211 g/cm3 at 0 °C
• Refractive Index: 1.5240; 1.5255; n20/D 1.525; n20/D 1.525(lit.)

Safety Information

• Storage Warning: IRRITANT, OZONE DEPLETER
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R36/37/38
• Safety Statements: 26; 26-36; 26-37; S26, S37/39
• TSCA Listed: true; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• Main Hazard: Irritant (Xi)
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥99.0% (GC); 99%; 99%, stab. with copper
• Grade: puriss.
• Contains: copper as stabilizer
• Linear Formula: CFBr3

DETAILS

Sigma Aldrich - 246107

Packaging
10, 50 g in ampule

REFERENCES

• For generation and carbonyl addition of the thermally labile species dibromofluoromethyllithium with n-BuLi at -130^o, see: Synlett, 987 (1995).
• Undergoes Pd-catalyzed addition to olefins to give 1,1,3-tribromo-1-fluoroalkanes: Tetrahedron Lett., 47, 9245 (2006).