Ethyl [(8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy](phenyl)acetate
Basic information
- CAS
405917-12-6- Standard SMILES
CCOC(=O)C(Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1ccccc1- InChIKey
SZKWPEKYSXQTGO-UHFFFAOYSA-N- Molecular formula
- C22H19ClO5
- Average molar mass
- 398.8 g/mol
- Monoisotopic mass
- 398.0921014
Names & identifiers
- Preferred name
- Ethyl [(8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy](phenyl)acetate
- IUPAC
- ethyl 2-[(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-2-phenylacetate
- English name
- ethyl 2-((8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)-2-phenylacetate
- Molecular formula
- C22H19ClO5
- Molecular weight
- 398.84
Names & synonyms
405917-12-6ethyl [(8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy](phenyl)acetateOprea1_480122EiM07-13848AKOS016358822ethyl 2-[(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-2-phenylacetateET ((8-CL-4-OXO-1,2,3,4-TETRAHYDROCYCLOPENTA(C)CHROMEN-7-YL)OXY)(PHENYL)ACETATEethyl 2-((8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)-2-phenylacetateBenzeneacetic acid, α-[(8-chloro-1,2,3,4-tetrahydro-4-oxocyclopenta[c][1]benzopyran-7-yl)oxy]-, ethyl ester
Database identifiers
- CAS
405917-12-6- PubChem CID
- 2894652
- EC Number
- 144-067-5
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 639
Physicochemical properties
- Boiling point
- 573.3 · 573.3±50.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 CategoriesAquatic Chronic 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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