2,2,3,3,4,4,4-heptafluorobutyl prop-2-enoate

• ChemBase ID: 9764
• Molecular Formular: C7H5F7O2
• Molecular Mass: 254.1022224
• Monoisotopic Mass: 254.01777694
• SMILES: O=C(C=C)OCC(C(C(F)(F)F)(F)F)(F)F
• Canonical SMILES: C=CC(=O)OCC(C(C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7H5F7O2/c1-2-4(15)16-3-5(8,9)6(10,11)7(12,13)14/h2H,1,3H2
• InChIKey: PLXOUIVCSUBZIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,4-heptafluorobutyl prop-2-enoate
• IUPAC Traditional name: 2,2,3,3,4,4,4-heptafluorobutyl prop-2-enoate
• Synonyms: HFBA; 2,2,3,3,4,4,4-Heptafluorobutyl acrylate; 1H,1H-Heptafluorobutyl acrylate; Acrylic acid 2,2,3,3,4,4,4-heptafluorobutyl ester; 1H,1H-Heptafluorobutyl acrylate 97%; 2,2,3,3,4,4,4-七氟丁基丙烯酸酯; 2,2,3,3,4,4,4-七氟丁基 丙烯酸酯

Database IDs

• CAS Number: 424-64-6
• EC Number: 207-036-8
• MDL Number: MFCD00039252
• Beilstein Number: 1792520
• PubChem SID: 24868073; 160973071
• PubChem CID: 67923

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2685564
• LogD (pH = 7.4): 3.2685564
• Log P: 3.2685564
• Molar Refractivity: 36.8466 cm^3
• Polarizability: 13.847044 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 120-122 °C/743 mmHg(lit.); 120-122°C; 120-122°C°C; 57-58°C/30mm
• Flash Point: 31 °C; 31°C°C; 31°C(87°F); 87.8 °F
• Density: 1.418; 1.418 g/mL at 25 °C(lit.); 1.485
• Refractive Index: 1.3310; 1.3436; n20/D 1.331(lit.)

Safety Information

• Storage Warning: Flammable/Irritant; IRRITANT, LACHRYMATOR
• European Hazard Symbols: 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: true; 是
• GHS Pictograms: GHS02; GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H312-H319-H332-H335; H226-H315-H319-H335-H411
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; 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

Product Information

• Purity: 97%; 97%, stab. with 100 ppm 4-methoxyphenol
• Linear Formula: H2C=CHCO2CH2CF2CF2CF3

DETAILS

Apollo Scientific Ltd - PC4394

Inhibited

Sigma Aldrich - 443751

Packaging
5 mL in glass bottle