tetrafluoropyridin-4-amine

• ChemBase ID: 6496
• Molecular Formular: C5H2F4N2
• Molecular Mass: 166.0763928
• Monoisotopic Mass: 166.01541095
• SMILES: c1(c(nc(c(c1N)F)F)F)F
• Canonical SMILES: Fc1nc(F)c(c(c1F)N)F
• InChI: InChI=1S/C5H2F4N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)
• InChIKey: PLVFNMQHMRRBAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluoropyridin-4-amine
• IUPAC Traditional name: tetrafluoropyridin-4-amine
• Synonyms: 4-Amino-2,3,5,6-tetrafluoropyridine; 4-Amino-2,3,5,6-tetrafluoropyridine; 4-氨基-2,3,5,6-四氟吡啶

Database IDs

• CAS Number: 1682-20-8
• MDL Number: MFCD00010855
• Beilstein Number: 475870
• PubChem SID: 160969803; 24858103
• PubChem CID: 1270911

CALCULATED PROPERTIES

• Acid pKa: 16.991476
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2853165
• LogD (pH = 7.4): 1.2853165
• Log P: 1.2853165
• Molar Refractivity: 31.4965 cm^3
• Polarizability: 10.054888 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84-87°C; 84-87°C; 85-87 °C(lit.); 85-87°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 22-36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C5H2F4N2

DETAILS

Sigma Aldrich - 300624

Packaging
1 g in glass bottle