Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

HCID 31090CAS 22244-22-0

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Grundinformationen

Standard-SMILES: CCOC(=O)C1CNc2ccccc2O1
InChIKey: FGYXHLIMQKWPIL-UHFFFAOYSA-N
Summenformel: C11H13NO3
Durchschnittliche Molmasse: 207,23 g/mol
Monoisotopische Masse: 207,08954328

Namen und Bezeichner

Bevorzugter Name: Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
IUPAC: ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Englischer Name: 3,4-Dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid ethyl ester
Summenformel: C11H13NO3
Molmasse: 207.23

Namen und Synonyme

22244-22-0ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylateDTXSID40944898RefChem:1084829DTXCID801373228ETHYL 3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-2-CARBOXYLATEMFCD01663859ethyl benzomorpholine-2-carboxylateCHEMBL4868317BRN 09908553,4-Dihydro-2H-1,4-benzoxazine-2-carboxylic acid ethyl ester2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID, 3,4-DIHYDRO-, ETHYL ESTER

Weitere Namen anzeigen

Ethyl 3,4-dihydro-2H-benzo-1,4-oxazine-2-carboxylate4-benzoxazine-2-carboxylicacid,3,4-dihydro-2h-ethylester3,4-dihydro-2h-1,4-benzoxazine-2-carboxylicacidethylester3,4-Dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid ethyl ester

SCHEMBL924887FGYXHLIMQKWPIL-UHFFFAOYSA-NAR3125BDBM50576034SBB093861STK909181AKOS002199221AKOS016305636

Datenbank-Bezeichner

CAS: 22244-22-0
PubChem CID: 31090
DTXSID: DTXSID40944898
ChEMBL: CHEMBL4868317
EC Number: 187-360-3
Nikkaji: J1.650.880B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 47,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 232

Physikochemische Eigenschaften

Siedepunkt: 131 · 131-133 °C
Dichte: 1.167 · 1.167±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: 3.22 · 3.22±0.40(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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.