trifluoroacetic acid sodium

• ChemBase ID: 105458
• Molecular Formular: C2HF3NaO2
• Molecular Mass: 137.0131196
• Monoisotopic Mass: 136.98263321
• SMILES: [Na].OC(=O)C(F)(F)F
• Canonical SMILES: OC(=O)C(F)(F)F.[Na]
• InChI: InChI=1S/C2HF3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7)
• InChIKey: UKXIHEBXRGRYQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoroacetic acid sodium
• IUPAC Traditional name: trifluoroacetic acid potassium
• Synonyms: Sodium Trifluoro Acetate; TRIFLUOROACETIC ACID SODIUM SALT

Database IDs

• CAS Number: 2923-18-4
• EC Number: 220-879-6
• PubChem SID: 162093839
• PubChem CID: 24191011

CALCULATED PROPERTIES

• Acid pKa: 0.9503416
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5809014
• LogD (pH = 7.4): -2.6199632
• Log P: 0.90898293
• Molar Refractivity: 13.653899 cm^3
• Polarizability: 5.227252 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 207°C (decomposes)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: AK0250000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:36/37/39

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 02190280

Sodium Salt
Crystalline
Purity: 97%