2,3-Dihydro[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde

HCID 21873668CAS 443955-90-6

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Grundinformationen

Standard-SMILES: O=Cc1cc2c(cn1)OCCO2
InChIKey: OMWBUWDHEZIMGQ-UHFFFAOYSA-N
Summenformel: C8H7NO3
Durchschnittliche Molmasse: 165,15 g/mol
Monoisotopische Masse: 165,04259308

Namen und Bezeichner

Bevorzugter Name: 2,3-Dihydro[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde
IUPAC: 2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde
Englischer Name: 2,3-Dihydro[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde
Summenformel: C8H7NO3
Molmasse: 165.15

Namen und Synonyme

2,3-dihydro[1,4]dioxino[2,3-c]pyridine-7-carbaldehydeDTXSID006191962,3-dihydro(1,4)dioxino(2,3-c)pyridine-7-carbaldehyde2,3-dihydro[1,4)dioxino[2,3-c]pyridine-7-carbaldehydeRefChem:442383DTXCID50569950807-254-9443955-90-62,3-Dihydro-[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carbaldehydeMFCD099079021,4-DIOXINO[2,3-C]PYRIDINE-7-CARBOXALDEHYDE, 2,3-DIHYDRO-

Weitere Namen anzeigen

2,3-DIHYDRO[1,4]DIOXINO[2,3-C]PYRIDINE-7-CARBALDEHYDE ISO 9001：2015 REACH

2,3-DIHYDRO[1,4]DIOXINO[2,3-C]PYRIDINE-7-CARBOXALDEHYDE2,3-Dihydro[1,4]dioxino-[2,3-c]pyridine-7-carbaldehydeSCHEMBL102388SCHEMBL41431852,3-dihydro-1,4-dioxino[2,3-c]pyridine-7-carbaldehydeOMWBUWDHEZIMGQ-UHFFFAOYSA-N2,3-Dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxaldehydeEOS-60313

Datenbank-Bezeichner

CAS: 443955-90-6
PubChem CID: 21873668
DTXSID: DTXSID00619196
EC Number: 807-254-9
Nikkaji: J2.877.119C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 48,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 174

Physikochemische Eigenschaften

Schmelzpunkt: 120 · 120-122 °C
Siedepunkt: 293 · 293.0±28.0 °C(Predicted)
Dichte: 1.34 · 1.340±0.06 g/cm3(Predicted)
pka: 3.98 · 3.98±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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