2-Propen-1-one, 1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)-
Basic information
- CAS
104890-73-5- Standard SMILES
O=C(C=Cc1c(Cl)cccc1Cl)c1ccc(Cl)cc1- InChIKey
UNMRSNMNIOEKID-UHFFFAOYSA-N- Molecular formula
- C15H9Cl3O
- Average molar mass
- 311.6 g/mol
- Monoisotopic mass
- 309.971898
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)-
- IUPAC
- 1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
- English name
- 1-(4-Chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
- Molecular formula
- C15H9Cl3O
- Molecular weight
- 311.59
Names & synonyms
104890-73-52-Propen-1-one, 1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)-DTXSID70303570RefChem:266125DTXCID402547021-(4-Chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-oneSCHEMBL12255972,4',6-TRICHLOROCHALCONE2,4',6-TRICHLOROCHALCONE
Database identifiers
- CAS
104890-73-5- PubChem CID
- 292906
- DTXSID
DTXSID70303570- EC Number
- 653-807-0
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Boiling point
- 445.8 · 445.8±45.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411
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
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term 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 Chronic 2 (100%)
Safety data
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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