[(trifluoroacetyl)oxy]zincio 2,2,2-trifluoroacetate

• ChemBase ID: 148667
• Molecular Formular: C4F6O4Zn
• Molecular Mass: 291.4108192
• Monoisotopic Mass: 289.8992198
• SMILES: C(=O)(C(F)(F)F)O[Zn]OC(=O)C(F)(F)F
• Canonical SMILES: O=C(C(F)(F)F)O[Zn]OC(=O)C(F)(F)F
• InChI: InChI=1S/2C2HF3O2.Zn/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
• InChIKey: VCQWRGCXUWPSGY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [(trifluoroacetyl)oxy]zincio 2,2,2-trifluoroacetate
• IUPAC Traditional name: [(trifluoroacetyl)oxy]zincio 2,2,2-trifluoroacetate
• Synonyms: Trifluoroacetic acid zinc salt; Zinc trifluoroacetate hydrate; 三氟乙酸 锌盐; 三氟乙酸锌 水合物

Database IDs

• CAS Number: 207801-31-8
• MDL Number: MFCD00061595
• Beilstein Number: 3719156
• PubChem SID: 24864559; 162242842
• PubChem CID: 3369593

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3592
• LogD (pH = 7.4): 1.3592
• Log P: 1.3592
• Molar Refractivity: 25.4526 cm^3
• Polarizability: 13.769832 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: Zn(CF3COO)2 · xH2O

DETAILS

Sigma Aldrich - 394017

Packaging
5 g in glass bottle