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HCID 70862Erstellt: 26. Oktober 2026

4-(4-Hydroxyphenoxy)-3,5-diiodphenylessigsure

NSC 90463 · THYROACETIC ACID · EINECS 214-582-0 · 3,5-DIIODOTHYROACETIC ACID · Levothyroxine Sodium Impurity 14 · 4-(4-HYDROXYPHENOXY)-3,5-DIIODOPHENYLACETIC ACID · 4-(4-Hydroxyphenoxy)-3,5-diiodobenzeneacetic acid · [4-(p-Hydroxyphenoxy)-3,5-diiodophenyl]acetic Acid

https://huagongshe.com/de/chemical/70862

Molekülstruktur von 4-(4-Hydroxyphenoxy)-3,5-diiodphenylessigsure

Identifikatoren & physikalische Daten

CAS No.1155-40-4
SummenformelC14H10I2O4
Durchschnittliche Molmasse496,03 g/mol
Monoisotopische Masse495,8668548 g/mol
SMILESO=C(O)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1
InChIKeyKKJBNMLZBHFYAE-UHFFFAOYSA-N
PubChem CID70862
ChEMBLCHEMBL3827438
EC No.214-582-0
DTXSIDDTXSID40151121
Lokaler Name4-(4-Hydroxyphenoxy)-3,5-diiodphenylessigsure

Chemische & physikalische Eigenschaften

XLogP3,9
Polarare Oberfläche (TPSA)66,8
H-Brücken-Donoren2
H-Brücken-Akzeptoren4
Frei drehbare Bindungen4
Schwere Atome20
Formalladung0
Komplexität319
Endocrine DisruptorsPotential endocrine disrupting compound
Schmelzpunkt223.5-225.0 °C(Solv: water (7732-18-5)acetic acid (64-19-7))
Siedepunkt527.8±50.0 °C(Predicted)
Dichte2.156±0.06 g/cm3(Predicted)
Lagerbedingungen2-8°C
LöslichkeitDMSO (Slightly), Methanol (Slightly)
AggregatzustandSolid
pKa (Säurekonstante)4.10±0.10(Predicted)
FarbeOff-White to Pale Brown

Sicherheit & Vorschriften

GHS-EinstufungWarningH302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
AlarmwortWarnung
GefahrenhinweiseCode Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302