2,4,6-Triiodophenol - CAS 609-23-4

Catalog:	BB030861
Product Name:	2,4,6-Triiodophenol
CAS:	609-23-4
Synonyms:	Phenol, 2,4,6-triiodo-; AM 24; Bobel 24; NSC 2594

Technical Data

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Literatures

Computed Properties

Related CAS:	72100-00-6 (polymer)
IUPAC Name:	2,4,6-triiodophenol
Molecular Weight:	471.80
Molecular Formula:	C6H3I3O
Canonical SMILES:	C1=C(C=C(C(=C1I)O)I)I
InChI:	InChI=1S/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChI Key:	VAPDZNUFNKUROY-UHFFFAOYSA-N
Boiling Point:	316.3±42.0°C at 760 mmHg
Melting Point:	159.8°C
Purity:	≥95%
Density:	3.062±0.06 g/cm3
Solubility:	Insoluble in Water
Appearance:	Off-white to light brown or grey powder
Storage:	Store at RT
MDL:	MFCD00002179
LogP:	3.20600

Publication Number	Title	Priority Date
CN-113466281-A	Based on1Method for quantifying total ginsenoside in Shenmai injection by H qNMR	20210629
CN-113214623-A	Preparation method of phosphorus-halogen synergistic flame-retardant unsaturated polyester resin material	20210604
CN-113307726-A	Preparation method and application of propyne aryl ether compound	20210427
WO-2021201196-A1	Film-forming composition	20200331
WO-2021193950-A1	Carbodiimide composition, hardener composition, coating composition, and cured resin object	20200327

PMID	Publication Date	Title	Journal
33049310	20210401	Evaluation of a multiplexed, multispecies nuclear receptor assay for chemical hazard assessment	Toxicology in vitro : an international journal published in association with BIBRA
29409039	20180501	The Affinity of Brominated Phenolic Compounds for Human and Zebrafish Thyroid Receptor β: Influence of Chemical Structure	Toxicological sciences : an official journal of the Society of Toxicology
28230093	20170223	Pentabromophenol suppresses TGF-β signaling by accelerating degradation of type II TGF-β receptors via caveolae-mediated endocytosis	Scientific reports
25314719	20150201	Characterizing the peroxisome proliferator-activated receptor (PPARγ) ligand binding potential of several major flame retardants, their metabolites, and chemical mixtures in house dust	Environmental health perspectives
22884421	20120921	Kinetic properties and small-molecule inhibition of human myosin-6	FEBS letters

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Related Functional Groups

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[35989-28-7]
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GHS Hazard Statement:	H302 (13.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	471.7318
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	471.7318
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5