2,2,3,3,3-pentafluoropropyl prop-2-enoate

• ChemBase ID: 98558
• Molecular Formular: C6H5F5O2
• Molecular Mass: 204.094716
• Monoisotopic Mass: 204.0209705
• SMILES: O(C(=O)C=C)CC(C(F)(F)F)(F)F
• Canonical SMILES: C=CC(=O)OCC(C(F)(F)F)(F)F
• InChI: InChI=1S/C6H5F5O2/c1-2-4(12)13-3-5(7,8)6(9,10)11/h2H,1,3H2
• InChIKey: JDVGNKIUXZQTFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,3-pentafluoropropyl prop-2-enoate
• IUPAC Traditional name: 2,2,3,3,3-pentafluoropropyl prop-2-enoate
• Synonyms: Acrylic acid 2,2,3,3,3-pentafluoropropyl ester; PFPA; 2,2,3,3,3-Pentafluoropropyl acrylate; 2,2,3,3,3-Pentafluoropropyl prop-2-enoate; 2,2,3,3,3-Pentafluoropropyl acrylate 97%; 2,2,3,3,3-五氟丙基 丙烯酸酯; 2,2,3,3,3-五氟丙基丙烯酸酯

Database IDs

• CAS Number: 356-86-5
• EC Number: 206-608-4
• MDL Number: MFCD00039257
• Beilstein Number: 1779140
• PubChem SID: 162084966; 24870692
• PubChem CID: 67744

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5679135
• LogD (pH = 7.4): 2.5679135
• Log P: 2.5679135
• Molar Refractivity: 32.1786 cm^3
• Polarizability: 11.999425 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 49-50°C/100mm; 50 °C/100 mmHg(lit.); 50°C/100mm
• Flash Point: 23 °C; 23°C; 23°C(73°F); 73.4 °F
• Density: 1.32; 1.32 g/mL at 25 °C(lit.); 1.320
• Refractive Index: 1.336; 1.3360; n20/D 1.336(lit.)

Safety Information

• Storage Warning: Flammable/Harmful/Irritant/Lachrymatory/Light Sensitive/Keep Cold
• European Hazard Symbols: Nature polluting (N); Irritant (Xi); Harmful (Xn)
• UN Number: 3272; UN3272
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-20/21/22-36/37; 10-36/37/38-51/53
• Safety Statements: 16-26-36; 26-28-61
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H312-H319-H332-H335; H226-H315-H319-H335-H411-H401
• GHS Precautionary statements: P210-P273-P305+P351+P338-P302+P352; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3272 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%; 98%
• Contains: 100 ppm 4-tert-butylcatechol as inhibitor
• Linear Formula: H2C=CHCO2CH2CF2CF3

DETAILS

Apollo Scientific Ltd - PC5785

Stabilised with 50ppm MEHQ

Sigma Aldrich - 470961

Packaging
5, 25 mL in glass bottle