2,2,3,3,3-pentafluoropropan-1-amine

• ChemBase ID: 6773
• Molecular Formular: C3H4F5N
• Molecular Mass: 149.062576
• Monoisotopic Mass: 149.02639023
• SMILES: C(N)C(C(F)(F)F)(F)F
• Canonical SMILES: NCC(C(F)(F)F)(F)F
• InChI: InChI=1S/C3H4F5N/c4-2(5,1-9)3(6,7)8/h1,9H2
• InChIKey: DPQNQLKPUVWGHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,3-pentafluoropropan-1-amine
• IUPAC Traditional name: 2,2,3,3,3-pentafluoropropan-1-amine
• Synonyms: 2,2,3,3,3-Pentafluoropropylamine; 2,2,3,3,3-Pentafluoropropylamine; 2,2,3,3,3-Pentafluoropropylamine; 1H,1H-Perfluoropropylamine 97%; 2,2,3,3,3-五氟丙基胺

Database IDs

• CAS Number: 422-03-7
• EC Number: 207-010-6
• MDL Number: MFCD00042459
• Beilstein Number: 1743135
• PubChem SID: 160970080
• PubChem CID: 79002

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.73717237
• LogD (pH = 7.4): 0.7836145
• Log P: 1.0302801
• Molar Refractivity: 20.0369 cm^3
• Polarizability: 7.556239 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 49-50°C; 49-50°C
• Flash Point: >100°C(212°F); none°C
• Density: 1.4; 1.400
• Refractive Index: 1.297; 1.2970

Safety Information

• Storage Warning: CORROSIVE; Corrosive/Flammable/Keep Cold
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 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: 97%