Basic information
- CAS
1948-39-6- Standard SMILES
O=C(O)Cc1cc(I)c(O)c(I)c1- InChIKey
IGWIPEUDVOXYDO-UHFFFAOYSA-N- Molecular formula
- C8H6I2O3
- Average molar mass
- 403.94 g/mol
- Monoisotopic mass
- 403.84064
Names & identifiers
- Preferred name
- 4-Hydroxy-3,5-diiodobenzeneacetic acid
- IUPAC
- 2-(4-hydroxy-3,5-diiodophenyl)acetic acid
- English name
- 4-Hydroxy-3,5-diiodophenylacetic acid
- Molecular formula
- C8H6I2O3
- Molecular weight
- 403.94
Names & synonyms
1948-39-64-Hydroxy-3,5-diiodophenylacetic acidDTXSID60173128OHDIP4-Hydroxy-3,5-diiodobenzeneacetic acidRefChem:523781DTXCID6095619217-753-82-(4-hydroxy-3,5-diiodophenyl)acetic acid3,5-diiodo-4-hydroxyphenylacetic acid(4-hydroxy-3,5-diiodophenyl)acetic acid4-Hydroxy-3,5-diiodobenzeneacetic Acid; (4-Hydroxy-3,5-diiodophenyl)acetic Acid; alpha-(3,5-Diiodo-4-hydroxyphenyl)acetic Acid;
Show more names
3,5-DIIODO-4-HYDROXY PHENYLACETIC ACIDBenzeneacetic acid, 4-hydroxy-3,5-diiodo-Levothyroxine 3,5-Diiodo 4-Hydroxyphenylacetic Acid
EINECS 217-753-8Benzeneacetic acid,4-hydroxy-3,5-diiodo-orb3029113SCHEMBL8773706IGWIPEUDVOXYDO-UHFFFAOYSA-NAKOS024255951AC-240022-(4-hydroxy-3,5-diiodophenyl)aceticacid
Database identifiers
- CAS
1948-39-6- PubChem CID
- 74759
- DTXSID
DTXSID60173128
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 217.5 · 217.5-219.5 °C(Solv: acetone (67-64-1); water (7732-18-5))
- Boiling point
- 370.3 · 370.3±42.0 °C(Predicted)
- Density
- 2.533 · 2.533±0.06 g/cm3(Predicted)
- pka
- 4.2 · 4.20±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H312-H335-H319-H332
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H312-H335-H319-H332
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses3,5-Diiodo-4-hydroxyphenylacetic acid is an impurity of Thyroxine (T425600).
Upstream & downstream products
Downstream products
Suppliers25 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Chengdu Youngshe Chemical Co., Ltd.+86-18108235634 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
四川爱元生物医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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