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

HCID 265566CAS 17720-64-8

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Grundinformationen

Standard-SMILES: CC(=O)ON1C(=O)c2ccccc2C1=O
InChIKey: IJRNYIWWGDQEIY-UHFFFAOYSA-N
Summenformel: C10H7NO4
Durchschnittliche Molmasse: 205,17 g/mol
Monoisotopische Masse: 205,0375077

Namen und Bezeichner

Bevorzugter Name: 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate
IUPAC: (1,3-dioxoisoindol-2-yl) acetate
Englischer Name: 1,3-dioxoisoindolin-2-yl acetate
Summenformel: C10H7NO4
Molmasse: 205.17

Namen und Synonyme

2-(acetyloxy)-1h-isoindole-1,3(2h)-dione1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetateRefChem:414831844-248-517720-64-8N-acetoxyphthalimide1,3-dioxoisoindolin-2-yl acetate(1,3-dioxoisoindol-2-yl) acetateMFCD006265481H-Isoindole-1,3(2H)-dione, 2-(acetyloxy)-NSC 101749NSC101749

Weitere Namen anzeigen

2-acetoxyisoindole-1,3-dione2-(acetoxy)-1H-isoindole-1,3(2H)-dione1,3-Dioxoisoindolin-2-yl acetate - [D94463]

NCIOpen2_006864SCHEMBL859822SCHEMBL29838651DTXSID50295404IJRNYIWWGDQEIY-UHFFFAOYSA-N1,3-Dioxo-2-isoindolinyl AcetateSAA72064AT36905

Datenbank-Bezeichner

CAS: 17720-64-8
PubChem CID: 265566
DTXSID: DTXSID50295404
EC Number: 844-248-5
Nikkaji: J1.219.059J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 63,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 301

Physikochemische Eigenschaften

Schmelzpunkt: 185 · 185-186°
storage temp.: -20 °C · Storage temp. -20°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.