(2,2,2-trifluoroethyl)hydrazine

• ChemBase ID: 99594
• Molecular Formular: C2H5F3N2
• Molecular Mass: 114.0697096
• Monoisotopic Mass: 114.04048283
• SMILES: N(CC(F)(F)F)N
• Canonical SMILES: NNCC(F)(F)F
• InChI: InChI=1S/C2H5F3N2/c3-2(4,5)1-7-6/h7H,1,6H2
• InChIKey: OPMFFAOEPFATTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2,2-trifluoroethyl)hydrazine
• IUPAC Traditional name: (2,2,2-trifluoroethyl)hydrazine
• Synonyms: 1-Hydrazino-2,2,2-trifluoroethane; (2,2,2-Trifluoroethyl)hydrazine, 70% aqueous solution; 2,2,2-Trifluoroethylhydrazine solution; 2,2,2-三氟乙基肼 溶液

Database IDs

• CAS Number: 5042-30-8
• MDL Number: MFCD00007622
• PubChem SID: 24847884; 162085857
• PubChem CID: 78740

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.12585364
• LogD (pH = 7.4): 0.14027168
• Log P: 0.14498195
• Molar Refractivity: 30.3458 cm^3
• Polarizability: 6.9925127 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 42°C
• Density: 1.294; 1.294 g/mL at 25 °C
• Refractive Index: 1.361; n20/D 1.361

Safety Information

• Storage Warning: Flammable/Harmful/Store under Argon/Keep Cold
• European Hazard Symbols: Harmful (Xn)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 20/21/22
• Safety Statements: 36/37
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H331
• GHS Precautionary statements: P261-P280-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Concentration: 70 wt. % in H2O
• Linear Formula: CF3CH2NHNH2

DETAILS

Sigma Aldrich - 129046

Application
Building block for fluorinated pyridazines1 and fluoroalkyl hydrazones of β-phosphonates.2
Packaging
5, 25 g in ampule