1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl benzoate

HCID 792579CAS 58585-84-5

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Basic information

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 properties

XLogP: 2.6
Topological polar surface area: 63.7 Å²
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

GHS classification

GHS Classification · 4 items

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