5-((5-Iodofuran-2-yl)methylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Basic information
- CAS
126965-20-6- Standard SMILES
CC1(C)OC(=O)C(=Cc2ccc(I)o2)C(=O)O1- InChIKey
COVGXCJCQUSUJH-UHFFFAOYSA-N- Molecular formula
- C11H9IO5
- Average molar mass
- 348.09 g/mol
- Monoisotopic mass
- 347.94947
Names & identifiers
- Preferred name
- 5-((5-Iodofuran-2-yl)methylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- IUPAC
- 5-[(5-iodofuran-2-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
- English name
- 5-[(5-iodofuran-2-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
- Molecular formula
- C11H9IO5
- Molecular weight
- 348.09
Names & synonyms
5-[(5-iodofuran-2-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione126965-20-65-((5-Iodofuran-2-yl)methylidene)-2,2-dimethyl-1,3-dioxane-4,6-dioneRefChem:528735830-108-05-[(5-iodo-2-furyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione5-((5-iodofuran-2-yl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione5-((5-IODO-2-FURYL)METHYLENE)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONEC11H9IO5CBMicro_032615CHEMBL1603349SCHEMBL15894066
Show more names
1,3-Dioxane-4,6-dione, 5-[(5-iodo-2-furanyl)methylene]-2,2-dimethyl-
BFA96520STL332224AKOS001626886EBC-612291ST022057BIM-0032384.P001CS-0248705EN300-41083
Database identifiers
- CAS
126965-20-6- PubChem CID
- 687628
- ChEMBL
CHEMBL1603349- EC Number
- 830-108-0
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Boiling point
- 527.4 · 527.4±50.0 °C(Predicted)
- Density
- 1.807 · 1.807±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335-H332
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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-H319-H335-H332
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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