(2,3,4,6-tetrafluorophenyl)methanaminium chloride

• ChemBase ID: 302660
• Molecular Formular: C7H6ClF4N
• Molecular Mass: 215.5758528
• Monoisotopic Mass: 215.01248976
• SMILES: c1c(c(c(c(c1F)F)F)C[NH3+])F.[Cl-]
• Canonical SMILES: [NH3+]Cc1c(F)cc(c(c1F)F)F.[Cl-]
• InChI: InChI=1S/C7H5F4N.ClH/c8-4-1-5(9)7(11)6(10)3(4)2-12;/h1H,2,12H2;1H
• InChIKey: RKRRFXPJXNNWGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3,4,6-tetrafluorophenyl)methanaminium chloride
• IUPAC Traditional name: (2,3,4,6-tetrafluorophenyl)methanaminium chloride
• Synonyms: 2,3,4,6-Tetrafluorobenzylamine hydrochloride; 2,3,4,6-四氟苯甲基胺 盐酸盐

Database IDs

• EC Number: 000-000-0
• MDL Number: MFCD06199158

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): -0.98778707
• LogD (pH = 7.4): 0.63771737
• Log P: 1.669822
• Molar Refractivity: 46.6898 cm^3
• Polarizability: 12.788463 Å^3
• Polar Surface Area: 27.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 231-233°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%