1,1,1,2,2,3,3-heptafluoro-3-iodopropane

• ChemBase ID: 9552
• Molecular Formular: C3F7I
• Molecular Mass: 295.9253924
• Monoisotopic Mass: 295.89329554
• SMILES: C(C(F)(F)F)(C(I)(F)F)(F)F
• Canonical SMILES: FC(C(I)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C3F7I/c4-1(5,2(6,7)8)3(9,10)11
• InChIKey: XTGYEAXBNRVNQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3-heptafluoro-3-iodopropane
• IUPAC Traditional name: 1,1,1,2,2,3,3-heptafluoro-3-iodopropane
• Synonyms: 1,1,1,2,2,3,3-heptafluoro-3-iodopropane; 1-Iodoperfluoropropane; Heptafluoro-1-iodopropane; Perfluoropropyl iodide; HEPTAFLUOROPROPYL IODIDE; Heptafluoro-1-iodopropane; Heptafluoro-n-propyl iodide; Perfluoropropyl iodide; Heptafluoro-1-iodopropane; Heptafluoropropyl iodide; 1-Iodoheptafluoropropane 95%; 1-碘全氟丙烷; 七氟-1-碘丙烷; 全氟丙基碘; 全氟碘代丙烷; 七氟-1-碘丙烷

Database IDs

• CAS Number: 754-34-7
• EC Number: 212-045-5
• MDL Number: MFCD00001061
• Beilstein Number: 1758822
• PubChem SID: 24898146; 160972859
• PubChem CID: 33977

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0681
• LogD (pH = 7.4): 3.0681
• Log P: 3.0681
• Molar Refractivity: 30.5119 cm^3
• Polarizability: 12.05328 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -95 - -93°C; -95°C
• Boiling Point: 40-41°C; 40-42°C; 41 °C(lit.)
• Density: 2.05 g/mL at 25 °C(lit.); 2.056; 2.100
• Refractive Index: 1.3272; 1.3290; n20/D 1.328(lit.)
• Vapor Pressure: 7.08 psi ( 20 °C)
• Hydrophobicity(logP): 3.175

Safety Information

• Storage Warning: IRRITANT, LIGHT SENSITIVE, TOXIC; Light Sensitive
• RTECS: TZ3930000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: true; 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 97%, stab. with copper; 98%
• Contains: copper as stabilizer
• Linear Formula: CF3CF2CF2I

DETAILS

MP Biomedicals - 05209467

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC4510

Stabilised with copper

Sigma Aldrich - P10402

Packaging
5, 25 g in ampule