4-chloroaniline hydrochloride

• ChemBase ID: 164037
• Molecular Formular: C6H7Cl2N
• Molecular Mass: 164.03248
• Monoisotopic Mass: 162.99555459
• SMILES: c1cc(ccc1Cl)N.Cl
• Canonical SMILES: Nc1ccc(cc1)Cl.Cl
• InChI: InChI=1S/C6H6ClN.ClH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H
• InChIKey: ISJBQSJDQZLCSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloroaniline hydrochloride
• IUPAC Traditional name: 4-chloroaniline hydrochloride
• Synonyms: 4-Chloroaniline monohydrochloride; 4-Chloroanilinium chloride; 4-Chlorobenzenamine hydrochloride; 4-Chlorophenylammonium chloride; p-Chloroaniline hydrochloride; p-Chloroanilinium chloride; p-Chlorophenylamine hydrochloride; p-Chloroaniline Hydrochloride; 4-Chloroaniline hydrochloride

Database IDs

• CAS Number: 20265-96-7
• PubChem SID: 162258172
• PubChem CID: 5284363

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7441368
• LogD (pH = 7.4): 1.748311
• Log P: 1.7483646
• Molar Refractivity: 35.5632 cm^3
• Polarizability: 13.317585 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water

Product Information

• Purity: 98%