1,2-Dihydro-3,4,5,6-tetraphenylphthalic anhydride
Basic information
- CAS
6971-41-1- Standard SMILES
O=C1OC(=O)C2C(c3ccccc3)=C(c3ccccc3)C(c3ccccc3)=C(c3ccccc3)C12- InChIKey
SDIBWMJFIDQLCK-UHFFFAOYSA-N- Molecular formula
- C32H22O3
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.15689456
Names & identifiers
- Preferred name
- 1,2-Dihydro-3,4,5,6-tetraphenylphthalic anhydride
- IUPAC
- 4,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1,3-dione
- English name
- 1,2-dihydro-3,4,5,6-tetraphenylphthalic anhydride
- Molecular formula
- C32H22O3
- Molecular weight
- 454.51528
Names & synonyms
1,2-Dihydro-3,4,5,6-tetraphenylphthalic anhydrideEINECS 230-197-0NSC 66518RefChem:411678230-197-06971-41-14,5,6,7-tetraphenyl-3a,7a-dihydro-2-benzofuran-1,3-dione4,5,6,7-Tetraphenylisobenzofuran-1,3(3aH,7aH)-dioneNSC66518DTXSID50989871SDIBWMJFIDQLCK-UHFFFAOYSA-NNSC-66518
Show more names
4,5,6,7-Tetraphenyl-3a,7a-dihydroisobenzofuran-1,3-dione3a,7a-Dihydro-4,5,6,7-tetraphenyl-1,3-isobenzofurandione1,3-Isobenzofurandione, 3a,7a-dihydro-4,5,6,7-tetraphenyl-
AKOS024429028NS00043785AC-907/25014343
Database identifiers
- CAS
6971-41-1- PubChem CID
- 96317
- DTXSID
DTXSID50989871- EC Number
- 230-197-0
- Nikkaji
- J266.018K
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 798
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- 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 39 reports by companies from 2 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
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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