argentio 2,2,3,3,4,4,4-heptafluorobutanoate

• ChemBase ID: 147734
• Molecular Formular: C4AgF7O2
• Molecular Mass: 320.8986224
• Monoisotopic Mass: 319.88374878
• SMILES: C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O[Ag]
• Canonical SMILES: [Ag]OC(=O)C(C(C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C4HF7O2.Ag/c5-2(6,1(12)13)3(7,8)4(9,10)11;/h(H,12,13);/q;+1/p-1
• InChIKey: GPNIJXACCBKBEP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: argentio 2,2,3,3,4,4,4-heptafluorobutanoate
• IUPAC Traditional name: argentio 2,2,3,3,4,4,4-heptafluorobutanoate
• Synonyms: Heptafluorobutyric acid silver salt; Silver heptafluorobutyrate; 七氟丁酸 银盐; 七氟丁酸银

Database IDs

• CAS Number: 3794-64-7
• EC Number: 223-266-1
• MDL Number: MFCD00064197
• PubChem SID: 24858592; 162241918
• PubChem CID: 60160801

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6036
• LogD (pH = 7.4): 2.6036
• Log P: 2.6036
• Molar Refractivity: 22.0623 cm^3
• Polarizability: 13.979487 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 292-294 °C(lit.)

Safety Information

• RTECS: EK7875000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 41
• Safety Statements: 26-37/39
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: CF3CF2CF2CO2Ag

DETAILS

Sigma Aldrich - 307424

Packaging
5 g in glass bottle