1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane

• ChemBase ID: 9474
• Molecular Formular: C7BrF15
• Molecular Mass: 448.954948
• Monoisotopic Mass: 447.8943853
• SMILES: C(C(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C7BrF15/c8-6(19,20)4(15,16)2(11,12)1(9,10)3(13,14)5(17,18)7(21,22)23
• InChIKey: VPQQZKWYZYVTMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
• IUPAC Traditional name: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
• Synonyms: 1-Bromoperfluoroheptane; Perfluoroheptyl bromide; 1-Bromoperfluoroheptane 97%; 1-Bromopentadecafluoroheptane; Perfluoroheptyl bromide; Bromopentadecafluoroheptane; 1-Bromoperfluoroheptane; PERFLUOROHEPTYL BROMIDE; 1-溴全氟庚烷; 全氟溴庚烷; 1-溴全氟庚烷

Database IDs

• CAS Number: 375-88-2
• EC Number: 206-799-4
• MDL Number: MFCD00013570
• Beilstein Number: 1716336
• PubChem SID: 160972781; 24868301
• PubChem CID: 67819

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9419904
• LogD (pH = 7.4): 5.9419904
• Log P: 5.9419904
• Molar Refractivity: 43.8525 cm^3
• Polarizability: 17.443066 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 117-119°C; 117-119°C; 118 °C(lit.); 118-119°C
• Flash Point: None
• Density: 1.746; 1.894; 1.894 g/mL at 25 °C(lit.)
• Refractive Index: 1.303; 1.3030; n20/D 1.301(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37; 26-36
• TSCA Listed: true; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P280G-P305+P351+P338; P261-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: 97%; 98%
• Linear Formula: CF3(CF2)6Br

DETAILS

MP Biomedicals - 05216585

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 446866

Application
Used for the polyfluoroalkylation of nitrogen-containing heteroaromatic compounds.1