(3,4,5-trifluorophenyl)methanamine

• ChemBase ID: 8179
• Molecular Formular: C7H6F3N
• Molecular Mass: 161.1244496
• Monoisotopic Mass: 161.04523386
• SMILES: c1(c(c(cc(c1)CN)F)F)F
• Canonical SMILES: NCc1cc(F)c(c(c1)F)F
• InChI: InChI=1S/C7H6F3N/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H,3,11H2
• InChIKey: AJGBQAAXUVSBCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,4,5-trifluorophenyl)methanamine
• IUPAC Traditional name: (3,4,5-trifluorophenyl)methanamine
• Synonyms: 3,4,5-Trifluorobenzyl amine; 3,4,5-Trifluorobenzylamine; (3,4,5-Trifluorophenyl)methylamine; 3,4,5-Trifluorobenzylamine 98%; 3,4,5-Trifluorobenzylamine; 3,4,5-三氟苄胺

Database IDs

• CAS Number: 235088-69-4
• MDL Number: MFCD00236318
• PubChem SID: 160971486
• PubChem CID: 2777048

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4059728
• LogD (pH = 7.4): -0.17981817
• Log P: 1.5271201
• Molar Refractivity: 35.1806 cm^3
• Polarizability: 12.906408 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.4736

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Air Sensitive/Store under Nitrogen; IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: II
• 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%