Ethyl 4-hydroxy-3,5-diiodobenzoate
Basic information
- CAS
54073-94-8- Standard SMILES
CCOC(=O)c1cc(I)c(O)c(I)c1- InChIKey
AVFDHVCJEMRWFS-UHFFFAOYSA-N- Molecular formula
- C9H8I2O3
- Average molar mass
- 417.97 g/mol
- Monoisotopic mass
- 417.85629
Names & identifiers
- Preferred name
- Ethyl 4-hydroxy-3,5-diiodobenzoate
- IUPAC
- ethyl 4-hydroxy-3,5-diiodobenzoate
- English name
- Ethyl 4-hydroxy-3,5-diiodobenzoate
- Molecular formula
- C9H8I2O3
- Molecular weight
- 417.97
Names & synonyms
Ethyl 4-hydroxy-3,5-diiodobenzoate54073-94-8DTXSID00348297RefChem:344000DTXCID30299369MFCD000164234-Hydroxy-3,5-diiodobenzoic acid ethyl esterBenzoic acid, 4-hydroxy-3,5-diiodo-, ethyl esterSCHEMBL23484286AVFDHVCJEMRWFS-UHFFFAOYSA-NEthyl 4-hydroxy-35-diiodobenzoateEthyl4-hydroxy-3,5-diiodobenzoate
Show more names
SKL441
Ethyl-3,5-diiodo-4-hydroxybenzoateethyl 4-hydroxy-3,5-diiodo-benzoateAKOS022173292Ethyl 4-hydroxy-3,5-diiodobenzoate #BS-49878SY287882CS-01517954-Hydroxy-3,5-diiodobenzoic acid, ethyl ester
Database identifiers
- CAS
54073-94-8- PubChem CID
- 634500
- DTXSID
DTXSID00348297- Nikkaji
- J820.368G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 119 · 119-122 °C
- Boiling point
- 342.6 · 342.6±42.0 °C(Predicted)
- Density
- 2.242 · 2.242±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 5.47 · 5.47±0.23(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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