methyl 9H-xanthene-9-carboxylate

HCID 699662CAS 39497-06-8

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Grundinformationen

Standard-SMILES: COC(=O)C1c2ccccc2Oc2ccccc21
InChIKey: RFHABUQANXJNQS-UHFFFAOYSA-N
Summenformel: C15H12O3
Durchschnittliche Molmasse: 240,25 g/mol
Monoisotopische Masse: 240,07864424

Namen und Bezeichner

Bevorzugter Name: methyl 9H-xanthene-9-carboxylate
IUPAC: methyl 9H-xanthene-9-carboxylate
Englischer Name: Methyl 9H-xanthene-9-carboxylate
Summenformel: C15H12O3
Molmasse: 240.25

Namen und Synonyme

methyl 9H-xanthene-9-carboxylate39497-06-8Methyl xanthanoatemethyl xanthene-9-carboxylateMFCD00100676Xanthene-9-carboxylic acid methyl ester9H-xanthene-9-carboxylic acid methyl esterMaybridge4_003227methyl 9-xanthenecarboxylateMethylxanthene-9-carboxylateOprea1_627505orb3144331

Weitere Namen anzeigen

Methylxanthene-9-carboxylate,98%Xanthene-9-Carboxylic Methyl ester

SCHEMBL2596509DTXSID20351420RFHABUQANXJNQS-UHFFFAOYSA-NHMS1530C15CS-M2864SBB057848STK424586TYD-03672

Datenbank-Bezeichner

CAS: 39497-06-8
PubChem CID: 699662
DTXSID: DTXSID20351420
EC Number: 809-383-6
Nikkaji: J47.579C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 18
Formalladung: 0
Komplexität: 293

Physikochemische Eigenschaften

Siedepunkt: 331.5 · 331.5±41.0 °C(Predicted)
Dichte: 1.233 · 1.233±0.06 g/cm3(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]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 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.