methyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate

HCID 10798997

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 179950-69-7
Standard-SMILES: COC(=O)c1ccc2c(c1)OC(C)C(=O)N2
InChIKey: OLLPWCOGKLTZEW-UHFFFAOYSA-N
Summenformel: C11H11NO4
Durchschnittliche Molmasse: 221,21 g/mol
Monoisotopische Masse: 221,06880783

Namen und Bezeichner

Bevorzugter Name: methyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
IUPAC: methyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate
Englischer Name: methyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
Summenformel: C11H11NO4
Molmasse: 221.21

Namen und Synonyme

179950-69-7methyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylateDTXSID50445063RefChem:354387DTXCID20395884869-932-0Methyl 2-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylateMFCD11100233methyl 2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate2H-1,4-Benzoxazine-7-carboxylic acid, 3,4-dihydro-2-methyl-3-oxo-, methyl esterorb3169882SCHEMBL8029156

Weitere Namen anzeigen

Compound FL01252-Methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-7-carboxylic acid methyl ester2H-1,4-Benzoxazine-7-carboxylic acid, 3,4-dihydro-2-methyl-3-oxo-,methyl ester

OLLPWCOGKLTZEW-UHFFFAOYSA-NFL0125SBB096117AKOS005072614GC-07243,4-Dihydro-2-methyl-3-oxo-2H-1,4-benzoxazine-7-carboxylic acid, methyl esterSY100470CS-0049159

Datenbank-Bezeichner

CAS: 179950-69-7
PubChem CID: 10798997
DTXSID: DTXSID50445063
EC Number: 869-932-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 64,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 304

Physikochemische Eigenschaften

Schmelzpunkt: 169 · 169-171°
Siedepunkt: 406.6 · 406.6±45.0 °C(Predicted)
Dichte: 1.244 · 1.244±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 12.05 · 12.05±0.40(Predicted)

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)

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