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HCID 1203Erstellt: 26. Oktober 2026

2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol · Catachin · (+/-)-EPICATECHIN · 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-

https://huagongshe.com/de/chemical/1203

Molekülstruktur von 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

Identifikatoren & physikalische Daten

CAS No.13392-26-2
SummenformelC15H14O6
Durchschnittliche Molmasse290,27 g/mol
Monoisotopische Masse290,07903817 g/mol
SMILESOc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2
InChIKeyPFTAWBLQPZVEMU-UHFFFAOYSA-N
PubChem CID1203
ChEMBLCHEMBL206452
ChEBICHEBI:23053
EC No.230-731-2
DTXSIDDTXSID10859304
Lokaler Name2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

Chemische & physikalische Eigenschaften

XLogP0,4
Polarare Oberfläche (TPSA)110
H-Brücken-Donoren5
H-Brücken-Akzeptoren6
Frei drehbare Bindungen1
Schwere Atome21
Formalladung0
Komplexität364
SpringerMaterials PropertiesChemical shift
Endocrine DisruptorsPotential endocrine disrupting compound
Schmelzpunkt240 °C (decomp)
Siedepunkt630.4±55.0 °C(Predicted)
Dichte1.593±0.06 g/cm3(Predicted)
Lagerbedingungenunder inert gas (nitrogen or Argon) at 2–8 °C
pKa (Säurekonstante)9.54±0.10(Predicted)

Sicherheit & Vorschriften

GHS-EinstufungWarningH315 (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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
AlarmwortWarnung
GefahrenhinweiseCode Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315