1-Oxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

HCID 12850266

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Grundinformationen

CAS: 23386-40-5
Standard-SMILES: O=C(O)c1ccc2c(c1)CNC2=O
InChIKey: OLKKGIPWCIURHH-UHFFFAOYSA-N
Summenformel: C9H7NO3
Durchschnittliche Molmasse: 177,16 g/mol
Monoisotopische Masse: 177,04259309

Namen und Bezeichner

Bevorzugter Name: 1-Oxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
IUPAC: 1-oxo-2,3-dihydroisoindole-5-carboxylic acid
Englischer Name: 1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1-oxo-
Summenformel: C9H7NO3
Molmasse: 177.16

Namen und Synonyme

23386-40-51-oxo-2,3-dihydro-1H-isoindole-5-carboxylic acidDTXSID00511444RefChem:232839DTXCID10462251831-230-71-Oxoisoindoline-5-carboxylic acid1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1-oxo-1-oxo-2,3-dihydroisoindole-5-carboxylic acidMFCD13177824SCHEMBL14332678SY033907

Weitere Namen anzeigen

2,3-dihydro-1-oxo-1H-Isoindole-5-carboxylic acid

Y10066Z1255432661A8782591-Oxoisoindoline-5-carboxylica1-Oxoisoindoline-5-carboxylicacidOLKKGIPWCIURHH-UHFFFAOYSA-NAKOS015899115SB35809

Datenbank-Bezeichner

CAS: 23386-40-5
PubChem CID: 12850266
DTXSID: DTXSID00511444
EC Number: 831-230-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 66,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 251

Physikochemische Eigenschaften

Siedepunkt: 558.7 · 558.7±50.0 °C(Predicted)
Dichte: 1.433 · 1.433±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 3.79 · 3.79±0.20(Predicted)
Aggregatzustand: powder
Farbe: Beige

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): 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.