methyl fluoro(octadeca-9,12,15-trien-1-yl)phosphinate

• ChemBase ID: 153634
• Molecular Formular: C19H34FO2P
• Molecular Mass: 344.4442242
• Monoisotopic Mass: 344.22804518
• SMILES: CC/C=C/C/C=C/C/C=C/CCCCCCCCP(=O)(OC)F
• Canonical SMILES: CC/C=C/C/C=C/C/C=C/CCCCCCCCP(=O)(OC)F
• InChI: InChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h4-5,7-8,10-11H,3,6,9,12-19H2,1-2H3
• InChIKey: MEHJVKGETWKOKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl fluoro(octadeca-9,12,15-trien-1-yl)phosphinate
• IUPAC Traditional name: methyl fluoro(octadeca-9,12,15-trien-1-yl)phosphinate
• Synonyms: (9Z,12Z,15Z)-Octadecatrienyl-phosphonofluoridic acid; Methyl linolenyl fluorophosphonate

Database IDs

• EC Number: 201-185-2
• MDL Number: MFCD02259365
• PubChem SID: 162247773
• PubChem CID: 5353763

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.2847123
• LogD (pH = 7.4): 6.2847123
• Log P: 6.2847123
• Molar Refractivity: 102.3582 cm^3
• Polarizability: 38.662792 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: methyl acetate solution
• Flash Point: -16 °C; 3.2 °F

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1231
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36-66-67
• Safety Statements: 16-26-29-33
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319-H336
• GHS Precautionary statements: P210-P261-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 1231 3/PG 2
• Supplemental Hazard Statements: Repeated exposure may cause skin dryness or cracking.
• Storage Temperature: -70°C

Product Information

• Purity: ≥98%
• Shipped in: dry ice
• Empirical Formula (Hill Notation): C19H34FO2P

DETAILS

Sigma Aldrich - M2814

Biochem/physiol Actions
An analog of MAFP which has been widely studied as an inhibitor of phospholipases, FAAH, and as a cannabinoid receptor ligand.
Preparation Note
To change the solvent, simply evaporate the methyl acetate under a gentle stream of nitrogen and immediately add the solvent of choice.