2,4-Dichloro-6-[(3,5-dichloro-2-hydroxy-phenyl)methyl]phenol
[CAS# 1940-43-8]

Identification

• Name: 2,4-Dichloro-6-[(3,5-dichloro-2-hydroxy-phenyl)methyl]phenol
• Synonyms: 2,4-Dichloro-6-[(3,5-Dichloro-2-Hydroxy-Phenyl)Methyl]Phenol; 2,4-Dichloro-6-(3,5-Dichloro-2-Hydroxy-Benzyl)Phenol; Nsc 14796
• Molecular Formula: C₁₃H₈Cl₄O₂
• Molecular Weight: 338.02
• CAS Registry Number: 1940-43-8
• EINECS: 217-720-8
• SMILES: C2=C(CC1=CC(=CC(=C1O)Cl)Cl)C(=C(C=C2Cl)Cl)O
• InChI: 1S/C13H8Cl4O2/c14-8-2-6(12(18)10(16)4-8)1-7-3-9(15)5-11(17)13(7)19/h2-5,18-19H,1H2
• InChIKey: PKKDWPSOOQBWFB-UHFFFAOYSA-N

Properties

• Density: 1.583g/cm³ (Cal.)
• Boiling point: 430.81°C at 760 mmHg (Cal.)
• Flash point: 214.347°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370