3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylprop-2-enoate

• ChemBase ID: 7267
• Molecular Formular: C12H9F13O2
• Molecular Mass: 432.1779016
• Monoisotopic Mass: 432.03949639
• SMILES: C(C(C(C(C(C(CCOC(=O)C(=C)C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: O=C(C(=C)C)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C12H9F13O2/c1-5(2)6(26)27-4-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1,3-4H2,2H3
• InChIKey: CDXFIRXEAJABAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylprop-2-enoate
• IUPAC Traditional name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylprop-2-enoate
• Synonyms: 2-(Perfluorohexyl)ethyl methacrylate; 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methylprop-2-enoate; 1H,1H,2H,2H-Perfluorooctyl methacrylate 95%; 1H,1H,2H,2H-perfluorooctyl methacrylate; 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl methacrylate; 1H,1H,2H,2H-Perfluorooctyl methacrylate; 甲基丙烯酸 3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛酯

Database IDs

• CAS Number: 2144-53-8
• EC Number: 218-407-9
• MDL Number: MFCD00077580
• PubChem SID: 24870970; 160970574
• PubChem CID: 75066

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.0363383
• LogD (pH = 7.4): 6.0363383
• Log P: 6.0363383
• Molar Refractivity: 59.6595 cm^3
• Polarizability: 22.774662 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -33°C
• Boiling Point: 92 °C/8 mmHg(lit.); 92°C/8mm
• Flash Point: 113 °C; 113°C; 235.4 °F
• Density: 1.496; 1.496 g/mL at 25 °C(lit.)
• Refractive Index: 1.3460; n20/D 1.346(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: true
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 97%
• Contains: 100 ppm 4-tert-butylcatechol as inhibitor
• Linear Formula: H2C=C(CH3)CO2CH2CH2(CF2)5CF3

DETAILS

Sigma Aldrich - 474215

Packaging
5 mL in glass bottle