2-Furan-2-ylmethylene-indan-1,3-dione
Basic information
- CAS
29874-41-7- Standard SMILES
O=C1C(=Cc2ccco2)C(=O)c2ccccc21- InChIKey
IVGUVWKWSGCMLD-UHFFFAOYSA-N- Molecular formula
- C14H8O3
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.04734411
Names & identifiers
- Preferred name
- 2-Furan-2-ylmethylene-indan-1,3-dione
- IUPAC
- 2-(furan-2-ylmethylidene)indene-1,3-dione
- English name
- 2-(2-Furylmethylene)-1H-indene-1,3(2H)-dione
- Molecular formula
- C14H8O3
- Molecular weight
- 224.21
Names & synonyms
29874-41-72-Furan-2-ylmethylene-indan-1,3-dioneRefChem:472732651-216-22-(furan-2-ylmethylene)-1H-indene-1,3(2H)-dione2-(2-Furylmethylene)-1H-indene-1,3(2H)-dione2-(furan-2-ylmethylidene)indene-1,3-dioneMFCD002190012-(2-furylmethylene)cyclopenta[1,2-a]benzene-1,3-dione2-[(furan-2-yl)methylidene]-2,3-dihydro-1H-indene-1,3-dioneSMR000174431MLS000568808
Show more names
1H-Indene-1,3(2H)-dione, 2-(2-furanylmethylene)-F1135-0038IFLab1_004614CHEMBL1468838SCHEMBL20718856SCHEMBL29841039IVGUVWKWSGCMLD-UHFFFAOYSA-NHMS1425B16
Database identifiers
- CAS
29874-41-7- PubChem CID
- 614207
- ChEMBL
CHEMBL1468838- EC Number
- 651-216-2
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Melting point
- 201 °C · 201 °C
- Boiling point
- 404.6 · 404.6±45.0 °C(Predicted)
- Density
- 1.383 · 1.383±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- HS Code
- 2932190090 · 2932190090
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- hs_code
- 2932190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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