Basic information
- CAS
42581-24-8- Standard SMILES
CCC(=O)CC(c1ccccc1)C1(Cl)C(=O)c2ccccc2C1=O- InChIKey
FYFOQYSCXOKLBW-UHFFFAOYSA-N- Molecular formula
- C20H17ClO3
- Average molar mass
- 340.8 g/mol
- Monoisotopic mass
- 340.0866221
Names & identifiers
- Preferred name
- 2-Chloro-2-(3-oxo-1-phenyl-pentyl)-indan-1,3-dione
- IUPAC
- 2-chloro-2-(3-oxo-1-phenylpentyl)indene-1,3-dione
- English name
- 2-chloro-2-(3-oxo-1-phenylpentyl)indene-1,3-dione
- Molecular formula
- C20H17ClO3
- Molecular weight
- 340.8
Names & synonyms
42581-24-82-Chloro-2-(3-oxo-1-phenyl-pentyl)-indan-1,3-dioneRefChem:468558651-641-32-chloro-2-(3-oxo-1-phenylpentyl)-1H-indene-1,3(2H)-dioneMLS0005898522-chloro-2-(3-oxo-1-phenylpentyl)indene-1,3-dioneSMR000217047CHEMBL1525559BDBM60493cid_3838751HMS2535D15
Show more names
1H-Indene-1,3(2H)-dione, 2-chloro-2-(3-oxo-1-phenylpentyl)-
STL322446AKOS0221044872-chloro-2-(3-keto-1-phenyl-pentyl)indane-1,3-quinone2-chloranyl-2-(3-oxidanylidene-1-phenyl-pentyl)indene-1,3-dione
Database identifiers
- CAS
42581-24-8- PubChem CID
- 3838751
- ChEMBL
CHEMBL1525559- EC Number
- 651-641-3
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
Physicochemical properties
- Melting point
- 98 · 98-99 °C
- Boiling point
- 496.4 · 496.4±45.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…