Methyl 5-oxo-5,6,7,8-tetrahydronaphthalene-1-carboxylate

HCID 12284900

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 59599-49-4
Standard-SMILES: COC(=O)c1cccc2c1CCCC2=O
InChIKey: DFNWPCQCKKLLPR-UHFFFAOYSA-N
Summenformel: C12H12O3
Durchschnittliche Molmasse: 204,22 g/mol

Namen und Bezeichner

Bevorzugter Name: Methyl 5-oxo-5,6,7,8-tetrahydronaphthalene-1-carboxylate
IUPAC: methyl 5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylate
Englischer Name: Methyl 5-oxo-5,6,7,8-tetrahydronaphthalene-1-carboxylate
Summenformel: C12H12O3
Molmasse: 204.22

Namen und Synonyme

Methyl 5-oxo-5,6,7,8-tetrahydronaphthalene-1-carboxylate59599-49-4MFCD16037869methyl 5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylateSCHEMBL5886388Methyl5-oxo-5,6,7,8-tetrahydronaphthalene-1-carboxylateDFNWPCQCKKLLPR-UHFFFAOYSA-Nmethyl 1-oxotetralin-5-carboxylateJCA59949AKOS032945537CS-16627DA-04562

Weitere Namen anzeigen

1-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-5-oxo-, methyl ester

SY337774CS-0101664EN300-221632Y11635Methyl 5-oxo-5,6,7,8-tetrahydro-1-naphthoateF546887methyl 5-oxo-5,6,7,8-tetrahydro-1-naphthalenecarboxylateMethyl-5-oxo-5,6,7,8-tetrahydronaphthalene-1-carboxylate

Datenbank-Bezeichner

CAS: 59599-49-4
PubChem CID: 12284900
EC Number: 116-288-7
Nikkaji: J819.088G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 272

Physikochemische Eigenschaften

Schmelzpunkt: 53 · 53-55 °C(Solv: methanol (67-56-1))
Siedepunkt: 125 · 125-128 °C(Press: 0.1 Torr)
Dichte: 1.196 · 1.196±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.