2,2,3,3,4,4,5,5-octafluoropentyl prop-2-enoate

• ChemBase ID: 7716
• Molecular Formular: C8H6F8O2
• Molecular Mass: 286.1192656
• Monoisotopic Mass: 286.02400519
• SMILES: O(CC(C(C(C(F)F)(F)F)(F)F)(F)F)C(=O)C=C
• Canonical SMILES: C=CC(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H6F8O2/c1-2-4(17)18-3-6(11,12)8(15,16)7(13,14)5(9)10/h2,5H,1,3H2
• InChIKey: WISUNKZXQSKYMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5-octafluoropentyl prop-2-enoate
• IUPAC Traditional name: 2,2,3,3,4,4,5,5-octafluoropentyl prop-2-enoate
• Synonyms: OFPA; 2,2,3,3,4,4,5,5-Octafluoropentyl acrylate; Acrylic acid 2,2,3,3,4,4,5,5-octafluoropentyl ester; 1H,1H,5H-Perfluoro-1-pentyl acrylate; 1H,1H,5H-Octafluoropentyl acrylate; 1H,1H,5H-Octafluoropentyl acrylate 97%; 丙烯酸八氟戊酯; 2,2,3,3,4,4,5,5-八氟戊基 丙烯酸酯, 97%,50ppm 4-甲氧基苯酚稳定剂

Database IDs

• CAS Number: 376-84-1
• EC Number: 206-816-5
• MDL Number: MFCD00039279
• PubChem SID: 160971023; 24871001
• PubChem CID: 67829

CALCULATED PROPERTIES

• Acid pKa: 19.789541
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4804385
• LogD (pH = 7.4): 3.4804385
• Log P: 3.4804385
• Molar Refractivity: 40.6249 cm^3
• Polarizability: 15.60448 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 122 °C/140 mmHg(lit.); 56°C/8mm; 56°C/8mm
• Flash Point: 161.6 °F; 71°C; 71°C(159°F); 72 °C
• Density: 1.481; 1.488 g/mL at 25 °C(lit.)
• Refractive Index: 1.345; 1.346; 1.3490; n20/D 1.349(lit.)

Safety Information

• Storage Warning: Flammable/Keep Cold; IRRITANT, KEEP COLD
• RTECS: UD3643645
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/37/38; 36/37/38-51/53
• Safety Statements: 26-28-61; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H227; H315-H319-H335-H411
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P273-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3077 9/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%; 97%, stab. with ca 50ppm 4-methoxyphenol
• Contains: 100 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: H2C=CHCO2CH2(CF2)3CHF2

DETAILS

Apollo Scientific Ltd - PC5352

Inhibited with 50ppm MEHQ

Sigma Aldrich - 474401

Packaging
25 mL in poly bottle