Basic information
- CAS
51439-47-5- Standard SMILES
CC(=O)C(C(=O)c1ccccc1)C(C(C)=O)C(=O)c1ccccc1- InChIKey
IIHNJBVVXUOWFC-UHFFFAOYSA-N- Molecular formula
- C20H18O4
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.12050905
Names & identifiers
- Preferred name
- 3,4-Dibenzoylhexane-2,5-dione
- IUPAC
- 3,4-dibenzoylhexane-2,5-dione
Names & synonyms
3,4-dibenzoylhexane-2,5-dione51439-47-5DTXSID60300553RefChem:270757DTXCID702516883,4-Dibenzoyl-2,5-hexanedione1,2-diacetyl-1,2-dibenzoylethaneNSC137567Stigmasterol Impurity 7NSC401200AKOS024325848NSC-137567
Show more names
NSC-401200DS-013908
Database identifiers
- CAS
51439-47-5- PubChem CID
- 283201
- DTXSID
DTXSID60300553- EC Number
- 150-459-7
- Nikkaji
- J836.981J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 450
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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