4-(4-fluorophenyl)aniline hydrochloride

• ChemBase ID: 93873
• Molecular Formular: C12H11ClFN
• Molecular Mass: 223.6738432
• Monoisotopic Mass: 223.05640526
• SMILES: Fc1ccc(cc1)c1ccc(cc1)N.Cl
• Canonical SMILES: Nc1ccc(cc1)c1ccc(cc1)F.Cl
• InChI: InChI=1S/C12H10FN.ClH/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;/h1-8H,14H2;1H
• InChIKey: BOZYZEIWFJRWBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorophenyl)aniline hydrochloride
• IUPAC Traditional name: 4-biphenylamine, 4'-fluoro- hydrochloride
• Synonyms: 4-(4-Fluorophenyl)aniline hydrochloride; 4-Amino-4'-fluorobiphenyl hydrochloride 98%

Database IDs

• CAS Number: 324-93-6
• MDL Number: MFCD08445325
• PubChem SID: 162080528
• PubChem CID: 11241564

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9210331
• LogD (pH = 7.4): 2.9340782
• Log P: 2.9342473
• Molar Refractivity: 56.111 cm^3
• Polarizability: 22.091171 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119-121°C

Safety Information

• Storage Warning: Toxic