Basic information
- CAS
57998-98-8- Standard SMILES
CC1=C(C)C(=O)c2c(OC(=O)c3ccccc3)ccc(OC(=O)c3ccccc3)c2C1=O- InChIKey
LPLVIXJGZXJADR-UHFFFAOYSA-N- Molecular formula
- C26H18O6
- Average molar mass
- 426.4 g/mol
- Monoisotopic mass
- 426.11033829
Names & identifiers
- Preferred name
- (4-Benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate
- IUPAC
- (4-benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate
- English name
- 1,4-Naphthalenedione,5,8-bis(benzoyloxy)-2,3-dimethyl-
- Molecular formula
- C26H18O6
- Molecular weight
- 426.41752
Names & synonyms
57998-98-8NSC208752(4-benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoateOprea1_789185CHEMBL3272772DTXSID30308743AKOS024422414NSC-2087526,7-Dimethyl-5,8-dioxo-5,8-dihydronaphthalene-1,4-diyl dibenzoate4-(BENZOYLOXY)-6,7-DIMETHYL-5,8-DIOXO-5,8-DIHYDRO-1-NAPHTHALENYL BENZOATE1,4-Naphthalenedione,5,8-bis(benzoyloxy)-2,3-dimethyl-
Database identifiers
- CAS
57998-98-8- PubChem CID
- 308149
- DTXSID
DTXSID30308743- ChEMBL
CHEMBL3272772- EC Number
- 167-583-2
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 733
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%)
Chemistry & industry
Suppliers1 total
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
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