2,2-Bis-(phthalimidomethyl)-1,3-propanediol diacetate
Basic information
- CAS
102883-84-1- Standard SMILES
CC(=O)OCC(COC(C)=O)(CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O- InChIKey
XMVDRTLPWWRNNW-UHFFFAOYSA-N- Molecular formula
- C25H22N2O8
- Average molar mass
- 478.4 g/mol
- Monoisotopic mass
- 478.13761566
Names & identifiers
- Preferred name
- 2,2-Bis-(phthalimidomethyl)-1,3-propanediol diacetate
- IUPAC
- [2-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]propyl] acetate
- English name
- 3-(acetyloxy)-2,2-bis[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]propyl acetate
- Molecular formula
- C25H22N2O8
- Molecular weight
- 478.45078
Names & synonyms
102883-84-12,2-BIS-(PHTHALIMIDOMETHYL)-1,3-PROPANEDIOL DIACETATERefChem:440863653-902-7MLS0031713422,2-Bis((1,3-dioxoisoindolin-2-yl)methyl)propane-1,3-diyl diacetateNSC375978CHEMBL130669AKOS024430227NSC-375978SMR0018752433-(acetyloxy)-2,2-bis[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]propyl acetate
Database identifiers
- CAS
102883-84-1- PubChem CID
- 341865
- ChEMBL
CHEMBL130669- EC Number
- 653-902-7
- Nikkaji
- J1.270.569G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 808
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 38 reports by companies from 1 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
Suppliers
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Related reactions
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Compound notes
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