3,4-Dichloro-4'-methylchalcone
Basic information
- CAS
86710-09-0- Standard SMILES
Cc1ccc(C(=O)C=Cc2ccc(Cl)c(Cl)c2)cc1- InChIKey
UPSMETLAEOAZHC-UHFFFAOYSA-N- Molecular formula
- C16H12Cl2O
- Average molar mass
- 291.2 g/mol
- Monoisotopic mass
- 290.0265204
Names & identifiers
- Preferred name
- 3,4-Dichloro-4'-methylchalcone
- IUPAC
- 3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
Names & synonyms
3,4-DICHLORO-4'-METHYLCHALCONERefChem:485887653-509-086710-09-03-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-oneAKOS024333446DS-004541
Database identifiers
- CAS
86710-09-0- PubChem CID
- 304745
- EC Number
- 653-509-0
Properties
Computed structural properties
- XLogP
- 5.3
- 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
- 332
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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