tetrachloropyridin-4-amine

• ChemBase ID: 80240
• Molecular Formular: C5H2Cl4N2
• Molecular Mass: 231.89478
• Monoisotopic Mass: 229.89720879
• SMILES: n1c(c(c(c(c1Cl)Cl)N)Cl)Cl
• Canonical SMILES: Clc1nc(Cl)c(c(c1Cl)N)Cl
• InChI: InChI=1S/C5H2Cl4N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)
• InChIKey: CPLQYBDXWJHBST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrachloropyridin-4-amine
• IUPAC Traditional name: tetrachloropyridin-4-amine
• Synonyms: 2,3,5,6-Tetrachloropyridin-4-amine; 4-Amino-2,3,5,6-tetrachloropyridine; 2,3,5,6-tetrachloropyridin-4-amine

Database IDs

• CAS Number: 2176-63-8
• MDL Number: MFCD00183239
• PubChem SID: 162067360
• PubChem CID: 1556893

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7831805
• LogD (pH = 7.4): 2.7831805
• Log P: 2.7831805
• Molar Refractivity: 49.9433 cm^3
• Polarizability: 18.551987 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 207 - 209°C
• Hydrophobicity(logP): 2.96

Safety Information

• Storage Warning: Toxic/Store under Argon

Product Information

• Purity: 95%; 95+%