trifluoroethanimidamide

• ChemBase ID: 7747
• Molecular Formular: C2H3F3N2
• Molecular Mass: 112.0538296
• Monoisotopic Mass: 112.02483277
• SMILES: C(=N)(C(F)(F)F)N
• Canonical SMILES: NC(=N)C(F)(F)F
• InChI: InChI=1S/C2H3F3N2/c3-2(4,5)1(6)7/h(H3,6,7)
• InChIKey: NITMACBPVVUGOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoroethanimidamide
• IUPAC Traditional name: trifluoroethanimidamide
• Synonyms: Trifluoroacetamidine; Trifluoroacetamidine, tech.; 2,2,2-Trifluoroethanimidamide; Trifluoroacetamidine, tech; 2,2,2-trifluoroethanimidamide; 三氟乙脒

Database IDs

• CAS Number: 354-37-0
• EC Number: 000-000-0
• MDL Number: MFCD00041545
• Beilstein Number: 605978
• PubChem SID: 160971054
• PubChem CID: 2776882

CALCULATED PROPERTIES

• Acid pKa: 19.696198
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.17186677
• LogD (pH = 7.4): 0.17186847
• Log P: 0.17186849
• Molar Refractivity: 28.0702 cm^3
• Polarizability: 6.1755424 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 35-37°C/11mm; 35-37°C/11mm
• Density: 1.45
• Refractive Index: 1.3801; 1.3820
• Hydrophobicity(logP): -0.665

Safety Information

• Storage Warning: Corrosive/Irritant/Moisture Sensisitive/Store under Argon/Store at -20°C; Moisture Sensitive; MOISTURE SENSITIVE, KEEP COLD, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3267
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 85+%; 95%; tech. 85%

DETAILS

Apollo Scientific Ltd - PC3901

Shelf-life of product is limited