2-Methyl-1,3-dioxoisoindoline-5-carboxylic acid

HCID 883431

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Grundinformationen

CAS: 42710-39-4
Standard-SMILES: CN1C(=O)c2ccc(C(=O)O)cc2C1=O
InChIKey: JNOGAXDCJSTIRH-UHFFFAOYSA-N
Summenformel: C10H7NO4
Durchschnittliche Molmasse: 205,17 g/mol
Monoisotopische Masse: 205,0375077

Namen und Bezeichner

Bevorzugter Name: 2-Methyl-1,3-dioxoisoindoline-5-carboxylic acid
IUPAC: 2-methyl-1,3-dioxoisoindole-5-carboxylic acid
Englischer Name: 2-METHYL-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID
Summenformel: C10H7NO4
Molmasse: 205.17

Namen und Synonyme

2-methyl-1,3-dioxoisoindoline-5-carboxylic acidDTXSID10358266RefChem:1063625DTXCID4030932242710-39-4MFCD009576822-methyl-1,3-dioxoisoindole-5-carboxylic acid2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid2-methyl-1,3-dioxo-5-isoindolinecarboxylic acidCambridge id 6555449SCHEMBL3942594JNOGAXDCJSTIRH-UHFFFAOYSA-N

Weitere Namen anzeigen

1H-Isoindole-5-carboxylic acid, 2,3-dihydro-2-methyl-1,3-dioxo-2-methyl-1,3-dioxoisoindoline-5-carboxylic acid(SALTDATA: FREE)

2-methyl-1,3-dioxo-2,3-dihydro-1 h-isoindole-5-carboxylic acidSTK056434AKOS000118191SB64779NCGC01453389-01BS-37792SY167855DB-028110

Datenbank-Bezeichner

CAS: 42710-39-4
PubChem CID: 883431
DTXSID: DTXSID10358266
EC Number: 836-209-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 74,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 15
Formalladung: 0
Komplexität: 338

Physikochemische Eigenschaften

Siedepunkt: 422.4 · 422.4±28.0 °C(Predicted)
Dichte: 1.518 · 1.518±0.06 g/cm3(Predicted)
pka: 3.07 · 3.07±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.