2-[2-(oxiran-2-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione

HCID 339433

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Basic information

CAS: 86506-70-9
Standard SMILES: O=C1c2ccccc2C(=O)N1CCC1CO1
InChIKey: KPQFNAHIBWPUSX-UHFFFAOYSA-N
Molecular formula: C12H11NO3
Average molar mass: 217.22 g/mol
Monoisotopic mass: 217.07389321

Names & identifiers

Preferred name: 2-[2-(oxiran-2-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC: 2-[2-(oxiran-2-yl)ethyl]isoindole-1,3-dione
English name: 2-(2-Oxiranyl-ethyl)-isoindole-1,3-dione
Molecular formula: C12H11NO3
Molecular weight: 217.22

Names & synonyms

2-[2-(oxiran-2-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione2-(2-(oxiran-2-yl)ethyl)-2,3-dihydro-1H-isoindole-1,3-dioneRefChem:453153961-615-686506-70-92-(2-(OXIRAN-2-YL)ETHYL)ISOINDOLINE-1,3-DIONE2-(2-Oxiranyl-ethyl)-isoindole-1,3-dioneMFCD131921492-[2-(oxiran-2-yl)ethyl]isoindole-1,3-dione1H-Isoindole-1,3(2H)-dione, 2-(2-oxiranylethyl)-2-[2-(Oxiran-2-yl)ethyl]isoindoline-1,3-dioneNSC366111

Show more names

1H-Isoindole-1,3(2H)-dione, 2-[2-(2-oxiranyl)ethyl]-

SCHEMBL1905981DTXSID80320899KPQFNAHIBWPUSX-UHFFFAOYSA-NLDA50670N-(3,4-EPOXYBUTYL)PHTHALIMIDENSC-366111SY334764WS-01313

Database identifiers

CAS: 86506-70-9
PubChem CID: 339433
DTXSID: DTXSID80320899
EC Number: 961-615-6
Nikkaji: J1.805.806E

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 49.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 304

Physicochemical properties

Boiling point: 359.5 · 359.5±15.0 °C(Predicted)
Density: 1.353 · 1.353±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: -2.16 · -2.16±0.20(Predicted)
Appearance: White to off-white Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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.