5-Chloro-2-(2,4-dichlorophenoxy)phenol
[CAS# 64111-81-5]

Identification

• Name: 5-Chloro-2-(2,4-dichlorophenoxy)phenol
• Synonyms: "2,4,4'-Trichloro-2'-hydroxydiphenyl Ether"; "5-Chloro-2-(2,4-dichlorophenoxy)phenol"; 2-(2,4-dichlorophenoxy)-5-chlorophenol
• Molecular Formula: C₁₂H₇Cl₃O₂
• Molecular Weight: 289.54
• CAS Registry Number: 64111-81-5
• SMILES: C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl
• InChI: 1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
• InChIKey: XEFQLINVKFYRCS-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 57°C (Expl.)
• Boiling point: 344.6±42.0°C at 760 mmHg (Cal.)
• Flash point: 162.2±27.9°C (Cal.)

Safety Data

• Safety Code: S26;S39;S46;S60;S61
• Risk Code: R36/38;R50/53
• Hazard Symbol: X;N
• Transport Information: UN3077
• Safety Description: IRRITANT

References

• (1): Xinghua Fan, Cariton Kubwabo, Pat Rasmussen and Heather Jones-Otazo. Simultaneous quantitation of parabens, triclosan, and methyl triclosan in indoor house dust using solid phase extraction and gas chromatography-mass spectrometry, J. Environ. Monit., 2010, 12, 1891.