Zurück
HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 688917Erstellt: 23. Oktober 2026

3-Cyano-7-methoxycoumarin

3-Cyano-7-methoxycoumarin · 7-Methoxy-2-oxo-2H-chromene-3-carbonitrile · 2H-1-Benzopyran-3-carbonitrile, 7-methoxy-2-oxo-

https://huagongshe.com/de/chemical/688917

Molekülstruktur von 3-Cyano-7-methoxycoumarin

Identifikatoren & physikalische Daten

CAS No.13229-92-0
SummenformelC11H7NO3
Durchschnittliche Molmasse201,18 g/mol
Monoisotopische Masse201,04259308 g/mol
SMILESCOc1ccc2cc(C#N)c(=O)oc2c1
InChIKeyGGAFPIBJPYCFGR-UHFFFAOYSA-N
PubChem CID688917
ChEMBLCHEMBL1330513
EC No.634-352-7
DTXSIDDTXSID00350996

Chemische & physikalische Eigenschaften

XLogP1,8
Polarare Oberfläche (TPSA)59,3
H-Brücken-Donoren0
H-Brücken-Akzeptoren4
Frei drehbare Bindungen1
Schwere Atome15
Formalladung0
Komplexität352
Schmelzpunkt210-212 °C
Siedepunkt389.4±42.0 °C(Predicted)
Dichte1.34±0.1 g/cm3(Predicted)
Lagerbedingungen2-8°C
Aggregatzustandsolid
Farbepale yellow
InChI1S/C11H7NO3/c1-14-9-3-2-7-4-8(6-12)11(13)15-10(7)5-9/h2-5H,1H3
InChIKeyGGAFPIBJPYCFGR-UHFFFAOYSA-N
SMILESCOc1ccc2C=C(C#N)C(=O)Oc2c1

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Wassergefährdungsklasse (WGK)3
UN-TransportnummerUN 2811 6.1/PG 3
Zollcode2932209090
R-Sätze (R)20/21/22-36/37/38
GefahrensymboleXn
Sicherheitshinweise (S)26-36/37/39
Lagerklasse6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
GefahrenklasseAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3