6-Amino-1,4-dihydro-3-methyl-4-(3-nitrophenyl)pyrano[2,3-c]pyrazole-5-carbonitrile

6-AMINO-3-ME-4-(3-NITRO-PHENYL)-1,4-DIHYDRO-PYRANO(2,3-C)PYRAZOLE-5-CARBONITRILE · 6-amino-3-methyl-4-(3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile · 6-Amino-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile · Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-1,4-dihydro-3-methyl-4-(3-nitrophenyl)-

https://huagongshe.com/de/chemical/2737745

Molekülstruktur von 6-Amino-1,4-dihydro-3-methyl-4-(3-nitrophenyl)pyrano[2,3-c]pyrazole-5-carbonitrile

Identifikatoren & physikalische Daten

CAS No.	81000-13-7
Summenformel	C14H11N5O3
Durchschnittliche Molmasse	297,27 g/mol
Monoisotopische Masse	297,08618923 g/mol
SMILES	Cc1[nH]nc2c1C(c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2
InChIKey	JBJAWVQREDWYEK-UHFFFAOYSA-N
PubChem CID	2737745
ChEMBL	CHEMBL4530142
EC No.	167-884-9
DTXSID	DTXSID301132085

Chemische & physikalische Eigenschaften

XLogP	2,1
Polarare Oberfläche (TPSA)	134
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	1
Schwere Atome	22
Formalladung	0
Komplexität	548
Schmelzpunkt	232 °C(Solv: ethanol (64-17-5))
Siedepunkt	598.1±50.0 °C(Predicted)
Dichte	1.53±0.1 g/cm3(Predicted)
pKa (Säurekonstante)	11.44±0.70(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302