2,3,4,5-tetrachloro-6-(trichloromethyl)pyridine

• ChemBase ID: 18473
• Molecular Formular: C6Cl7N
• Molecular Mass: 334.2419
• Monoisotopic Mass: 330.78504277
• SMILES: c1(c(c(c(c(n1)Cl)Cl)Cl)Cl)C(Cl)(Cl)Cl
• Canonical SMILES: Clc1nc(c(c(c1Cl)Cl)Cl)C(Cl)(Cl)Cl
• InChI: InChI=1S/C6Cl7N/c7-1-2(8)4(6(11,12)13)14-5(10)3(1)9
• InChIKey: YMBFWRZKTZICHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4,5-tetrachloro-6-(trichloromethyl)pyridine
• IUPAC Traditional name: 2,3,4,5-tetrachloro-6-(trichloromethyl)pyridine
• Synonyms: 2,3,4,5-Tetrachloro-6-(trichloromethyl)pyridine

Database IDs

• CAS Number: 1134-04-9
• MDL Number: MFCD00186512
• PubChem SID: 160981780
• PubChem CID: 70811

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.2756877
• LogD (pH = 7.4): 5.2756877
• Log P: 5.2756877
• Molar Refractivity: 64.2877 cm^3
• Polarizability: 25.026188 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.242

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%