1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl benzoate
Completing data — refresh the page later to see the latest
Basic information
- CAS
58585-84-5- Standard SMILES
O=C(ON1C(=O)c2ccccc2C1=O)c1ccccc1- InChIKey
PSXVVEFTUBMHJR-UHFFFAOYSA-N- Molecular formula
- C15H9NO4
- Average molar mass
- 267.24 g/mol
- Monoisotopic mass
- 267.05315777
Names & identifiers
- Preferred name
- 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl benzoate
- IUPAC
- (1,3-dioxoisoindol-2-yl) benzoate
- English name
- 2-[(phenylcarbonyl)oxy]-1H-isoindole-1,3(2H)-dione
- Molecular formula
- C15H9NO4
- Molecular weight
- 267.24
Names & synonyms
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl benzoateRefChem:414832896-492-758585-84-52-(benzoyloxy)-1H-isoindole-1,3(2H)-dione1,3-Dioxoisoindolin-2-yl benzoate1H-Isoindole-1,3(2H)-dione, 2-(benzoyloxy)-N-benzoyloxyphthalimide2-[(phenylcarbonyl)oxy]-1H-isoindole-1,3(2H)-dione(1,3-dioxoisoindol-2-yl) BenzoateOprea1_098127SCHEMBL491136
Show more names
2-(benzoyloxy)isoindole-1,3-dione
DTXSID30355151(1,3-dioxoisoindol-2-yl)benzoateMFCD00585554STK067378(1,3-dioxoisoindolin-2-yl) benzoateAKOS0032887891,3-dioxobenzo[c]azolin-2-yl benzoateAS-95878
Database identifiers
- CAS
58585-84-5- PubChem CID
- 792579
- DTXSID
DTXSID30355151- EC Number
- 896-492-7
- Nikkaji
- J709.159A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Melting point
- 175 · 175-176 °C(Solv: hexane (110-54-3); benzene (71-43-2))
- Boiling point
- 430.3 · 430.3±28.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
5 records
Compound notes
Loading…