1-(1H-pyrazol-3-yl)ethan-1-one

3-Acetylpyrazole · 1-(3-Pyrazolyl)ethanone · 1-(1H-pyrazol-3-yl)- (9CI) · Ethanone, 1-(1H-pyrazol-3-yl)- · 1-(1H-Pyrazol-3-yl)ethanone HCL · 1-(1H-pyridineazole-3-yl)ethylone · Ethanone, 1-(1H-pyrazol-3-yl)- (9CI)

https://huagongshe.com/de/chemical/333471

Molekülstruktur von 1-(1H-pyrazol-3-yl)ethan-1-one

Identifikatoren & physikalische Daten

CAS No.	20583-33-9
Summenformel	C5H6N2O
Durchschnittliche Molmasse	110,11 g/mol
Monoisotopische Masse	110,04801281 g/mol
SMILES	CC(=O)c1ccn[nH]1
InChIKey	BHTZCIGVYSJBQB-UHFFFAOYSA-N
PubChem CID	333471
ChEMBL	CHEMBL3275951
EC No.	815-441-1
DTXSID	DTXSID20318735

Chemische & physikalische Eigenschaften

XLogP	0,2
Polarare Oberfläche (TPSA)	45,8
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	8
Formalladung	0
Komplexität	103
Schmelzpunkt	100-101 °C(Solv: benzene (71-43-2))
Siedepunkt	277.7±13.0 °C(Predicted)
Dichte	1.190±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
pKa (Säurekonstante)	10.96±0.10(Predicted)
InChI	InChI=1S/C5H6N2O/c1-4(8)5-2-3-6-7-5/h2-3H,1H3,(H,6,7)
InChIKey	BHTZCIGVYSJBQB-UHFFFAOYSA-N
SMILES	C(=O)(C1C=CNN=1)C

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%)
Zollcode	2933199090

Anwendungen & Verwendung

Verwenden

Ethanone, 1-(1H-pyrazol-3-yl)- (9CI) can be used in pharmaceutical synthesis.