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2,4,6-Triiodophenol
[CAS 72100-00-6]

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Identification
Name 2,4,6-Triiodophenol
Synonyms 2,4, 6-Triiodophenol; 2,4,6-Triiodo-phenol; 2,4,6-Triiodo-phenol(TIP)
Molecular Formula C6H3I3O
Molecular Weight 471.80
CAS Registry Number 72100-00-6
SMILES C1=C(C=C(C(=C1I)O)I)I
InChI 1S/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey VAPDZNUFNKUROY-UHFFFAOYSA-N
Properties
Density 3.1±0.1g/cm3 (Cal.)
Melting point 160°C (Expl.)
Boiling point 316.3±42.0°C at 760 mmHg (Cal.)
Flash point 145.1±27.9°C (Cal.)
Safety Data
Safety Code S26;S37  Details
Risk Code R22;R36/37/38  Details
Hazard Symbol symbol  X  Details
Safety Description WARNING: Irritates lungs, eyes, skin
WARNING: Irritates skin and eyes, harmful if swallowed
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
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