6-fluoropyridin-2-amine

• ChemBase ID: 18421
• Molecular Formular: C5H5FN2
• Molecular Mass: 112.1050032
• Monoisotopic Mass: 112.04367639
• SMILES: c1c(nc(cc1)N)F
• Canonical SMILES: Nc1cccc(n1)F
• InChI: InChI=1S/C5H5FN2/c6-4-2-1-3-5(7)8-4/h1-3H,(H2,7,8)
• InChIKey: UZALKVXCOUSWSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoropyridin-2-amine
• IUPAC Traditional name: 6-fluoropyridin-2-amine
• Synonyms: 2-Amino-6-fluoropyridine; 2-Amino-6-fluoropyridine; 6-Fluoro-2-pyridinamine; 6-Fluoropyridin-2-amine; 2-氨基-6-氟吡啶

Database IDs

• CAS Number: 1597-32-6
• MDL Number: MFCD04114200
• PubChem SID: 160981728
• PubChem CID: 2761399

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0577273
• LogD (pH = 7.4): 1.0577375
• Log P: 1.0577376
• Molar Refractivity: 30.1461 cm^3
• Polarizability: 10.282307 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 57-62 °C; 57-62°C; 58-62°C; 59-61°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21-25-36/37/38; 22-36/37/38
• Safety Statements: 26-36/37/39; 26-36/37-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H315-H319-H335; H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280H-P305+P351+P338-P309-P310

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C5H5FN2

DETAILS

Sigma Aldrich - 725064

Packaging
1, 5 g in glass bottle