4-(4-Hydroxyphenoxy)-3,5-diiodophenylacetic acid

HCID 70862CAS 1155-40-4

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Basic information

Standard SMILES
O=C(O)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1
InChIKey
KKJBNMLZBHFYAE-UHFFFAOYSA-N
Molecular formula
C14H10I2O4
Average molar mass
496.038 g/mol
Monoisotopic mass
495.8668548

Names & identifiers

Preferred name
4-(4-Hydroxyphenoxy)-3,5-diiodophenylacetic acid
IUPAC
[4-(4-Hydroxyphenoxy)-3,5-diiodophenyl]acetic acid
English name
3,5-DIIODOTHYROACETIC ACID
Molecular formula
C14H10I2O4
Molecular weight
496.04

Names & synonyms

NSC 90463THYROACETIC ACIDEINECS 214-582-03,5-DIIODOTHYROACETIC ACIDLevothyroxine Sodium Impurity 144-(4-HYDROXYPHENOXY)-3,5-DIIODOPHENYLACETIC ACID4-(4-Hydroxyphenoxy)-3,5-diiodobenzeneacetic acid[4-(p-Hydroxyphenoxy)-3,5-diiodophenyl]acetic Acid2,6-Diiod-4-carboxymethyl-4'-hydroxy-diphenyletherBenzeneacetic acid,4-(4-hydroxyphenoxy)-3,5-diiodo-

Database identifiers

CAS
1155-40-4
PubChem CID
70862
DTXSID
DTXSID40151121
ChEMBL
CHEMBL3827438
UNII
6X49MHU78S
EC Number
214-582-0
Nikkaji
J203.412C

Properties

Physicochemical properties

Melting point
223.5 · 223.5-225.0 °C(Solv: water (7732-18-5); acetic acid (64-19-7))
Boiling point
527.8 · 527.8±50.0 °C(Predicted)
Density
2.156 · 2.156±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H312-H332
Precautionary statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501

Chemistry & industry

Applications

UsesThe acetic acid analog of Thyroxine. A potent Thyroxine impurity.

Upstream & downstream products

Suppliers36 total

陕西科贝莱药物研发有限公司13119135307 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Chengdu Youngshe Chemical Co., Ltd.+86-18108235634 · [email protected]

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