5-fluoropyridin-2-amine

• ChemBase ID: 6916
• Molecular Formular: C5H5FN2
• Molecular Mass: 112.1050032
• Monoisotopic Mass: 112.04367639
• SMILES: c1c(ncc(c1)F)N
• Canonical SMILES: Nc1ccc(cn1)F
• InChI: InChI=1S/C5H5FN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)
• InChIKey: YJTXQLYMECWULH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoropyridin-2-amine
• IUPAC Traditional name: 5-fluoropyridin-2-amine
• Synonyms: 2-Amino-5-fluoropyridine; 2-Amino-5-fluoropyridine; 2-Amino-5-fluoropyridine 95%; 5-Fluoro-2-pyridinamine; 5-fluoropyridin-2-amine; 2-氨基-5-氟吡啶

Database IDs

• CAS Number: 21717-96-4
• EC Number: 000-000-0
• MDL Number: MFCD01861120
• Beilstein Number: 385938
• PubChem SID: 160970223; 24874037
• PubChem CID: 2737701

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6506313
• LogD (pH = 7.4): 0.66363835
• Log P: 0.6638069
• Molar Refractivity: 29.1314 cm^3
• Polarizability: 10.2830105 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93 - 97°C; 93-97 °C(lit.); 93-97°C; 93-99°C; 94-96°CC
• Flash Point: >110°C
• Hydrophobicity(logP): 0.584

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• European Hazard Symbols: Toxic (T); Irritant (Xi)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21-25-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H312-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280H-P305+P351+P338-P309-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H5FN2

DETAILS

Sigma Aldrich - 518689

Packaging
1, 5 g in glass bottle
250 mg in glass bottle