4-fluoropyridine hydrochloride

• ChemBase ID: 63901
• Molecular Formular: C5H5ClFN
• Molecular Mass: 133.5513032
• Monoisotopic Mass: 133.00945507
• SMILES: n1ccc(F)cc1.Cl
• Canonical SMILES: Fc1ccncc1.Cl
• InChI: InChI=1S/C5H4FN.ClH/c6-5-1-3-7-4-2-5;/h1-4H;1H
• InChIKey: QRUIPALQRYLTAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoropyridine hydrochloride
• IUPAC Traditional name: 4-fluoropyridine hydrochloride
• Synonyms: 4-Fluoropyridine hydrochloride, tech; 4-Fluoropyridine hydrochloride; 4-Fluoropyridine hydrochloride 98%

Database IDs

• CAS Number: 39160-31-1
• MDL Number: MFCD00234055
• PubChem SID: 162029640
• PubChem CID: 24820326

CALCULATED PROPERTIES

• Molar Refractivity: 24.1175 cm^3
• Polarizability: 9.112987 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.8371134
• LogD (pH = 7.4): 0.89743483
• Log P: 0.8982753

PROPERTIES

Physical Property

• Melting Point: 110°C
• Flash Point: >110°C

Safety Information

• Storage Warning: Harmful/Irritant/Hygroscopic/Store under Argon; IRRITANT; Irritant/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 97%