2,2,3,3,4,4,4-heptafluorobutyl 2-methylprop-2-enoate

• ChemBase ID: 9759
• Molecular Formular: C8H7F7O2
• Molecular Mass: 268.1288024
• Monoisotopic Mass: 268.033427
• SMILES: O=C(C(=C)C)OCC(C(C(F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(C(=C)C)OCC(C(C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H7F7O2/c1-4(2)5(16)17-3-6(9,10)7(11,12)8(13,14)15/h1,3H2,2H3
• InChIKey: VIEHKBXCWMMOOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,4-heptafluorobutyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2,2,3,3,4,4,4-heptafluorobutyl 2-methylprop-2-enoate
• Synonyms: 1H,1H-Heptafluoro-n-butyl methacrylate; Methacrylic acid 2,2,3,3,4,4,4-heptafluorobutyl ester; HFBMA; 2,2,3,3,4,4,4-Heptafluorobutyl methacrylate; 2,2,3,3,4,4,4-Heptafluorobutyl methacrylate; 1H,1H-Perfluorobutyl methacrylate; 1H,1H-Heptafluorobutyl methacrylate 97%; 2,2,3,3,4,4,4-七氟丁基 甲基丙烯酸酯; 2,2,3,3,4,4,4-七氟丁基甲基丙烯酸酯

Database IDs

• CAS Number: 13695-31-3
• EC Number: 237-217-7
• MDL Number: MFCD00039251
• PubChem SID: 24868094; 160973066
• PubChem CID: 83666

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6641068
• LogD (pH = 7.4): 3.6641068
• Log P: 3.6641068
• Molar Refractivity: 41.2037 cm^3
• Polarizability: 15.527098 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 134-136 °C(lit.); 134-136°C; 134-136°C; 55°C/50mm
• Flash Point: 36°C; 36°C(96°F); 37 °C; 98.6 °F
• Density: 1.345; 1.345 g/mL at 25 °C(lit.)
• Refractive Index: 1.3407; 1.3420; n20/D 1.341(lit.)

Safety Information

• Storage Warning: Flammable/Lachrymatory/Keep Cold; IRRITANT, LACHRYMATOR, FLAMMABLE
• 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: 10-36/37/38; 20/21/22-36/37
• Safety Statements: 26-28; 26-36
• TSCA Listed: true; 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H312-H319-H332-H335; H226-H315-H319-H335
• 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 20-50 ppm hydroquinone
• Linear Formula: H2C=C(CH3)CO2CH2CF2CF2CF3

DETAILS

Apollo Scientific Ltd - PC11102

Stabilised with 20-50 ppm hydroquinone

Apollo Scientific Ltd - PC4412

Inhibited with 50ppm MEHQ

Sigma Aldrich - 444006

Packaging
1, 5 g in glass bottle