3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene

• ChemBase ID: 7720
• Molecular Formular: C10H3F17
• Molecular Mass: 446.1036744
• Monoisotopic Mass: 445.99632984
• SMILES: C(C(C(C(C(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: C=CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H3F17/c1-2-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H,1H2
• InChIKey: NKAMGQZDVMQEJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene
• IUPAC Traditional name: tridecafluoro 1-decene
• Synonyms: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-decene; 1H,1H,2H-Perfluoro-1-decene; (Perfluoroctyl)ethylene; 1H,1H,2H-Perfluorodec-1-ene 97%; 1H,1H,2H-Perfluoro-1-decene; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七氟-1-癸烯; 1H,1H,2H-全氟-1-癸烯

Database IDs

• CAS Number: 21652-58-4
• EC Number: 244-503-5
• MDL Number: MFCD00039246
• Beilstein Number: 2066558
• PubChem SID: 160971027; 24863076
• PubChem CID: 88990

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.76237
• LogD (pH = 7.4): 6.76237
• Log P: 6.76237
• Molar Refractivity: 49.2578 cm^3
• Polarizability: 18.95324 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 146-147°C; 146-147°C
• Flash Point: 125 °C; 125°C; 125°C(257°F); 257 °F
• Density: 1.677; 1.677 g/mL at 25 °C(lit.); 1.680
• Refractive Index: 1.3000; 1.301; 1.3033; 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; 是
• 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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%; 99%
• Linear Formula: CF3(CF2)7CH=CH2

DETAILS

Sigma Aldrich - 370576

Packaging
5, 25 g in glass bottle