4-Methyl-2-pyrazolin-5-on

4-Methyl-1,2-dihydro-3H-pyrazol-3-one · 4-Methyl-2-pyrazolin-5-one · 4-Methyl-1H-pyrazol-5(4H)-one · 4-METHYL-2-PYRAZOLIN-5-ONE 98% · 4-Methyl-2-pyrazolin-5-one,98% · 4-methyl-1,4-dihydropyrazol-5-one · 4-Methyl-2-pyrazolin-5-one, HPLC 98% · 2,4-Dihydro-4-methyl-3H-pyrazol-3-one

https://huagongshe.com/de/chemical/98935

Molekülstruktur von 4-Methyl-2-pyrazolin-5-on

Identifikatoren & physikalische Daten

CAS No.	13315-23-6
Summenformel	C4H6N2O
Durchschnittliche Molmasse	98,1 g/mol
Monoisotopische Masse	98,04801282 g/mol
SMILES	CC1C=NNC1=O
InChIKey	GWYFIIHULJCWMO-UHFFFAOYSA-N
PubChem CID	98935
EC No.	236-346-6
DTXSID	DTXSID901314730
Lokaler Name	4-Methyl-2-pyrazolin-5-on

Chemische & physikalische Eigenschaften

XLogP	-0,2
Polarare Oberfläche (TPSA)	41,5
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	7
Formalladung	0
Komplexität	119
Schmelzpunkt	230-232 °C (dec.) (lit.)
Siedepunkt	183.6°C (rough estimate)
Dichte	1.1890 (rough estimate)
Brechungsindex	1.4327 (estimate)
InChI	1S/C4H6N2O/c1-3-2-5-6-4(3)7/h2-3H,1H3,(H,6,7)
InChIKey	GWYFIIHULJCWMO-UHFFFAOYSA-N
SMILES	CC1C=NNC1=O

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)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 Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Eye Irrit. 2Skin Irrit. 2STOT SE 3

Anwendungen & Verwendung

Verwenden

4-Methyl-2-pyrazolin-5-one may be used in chemical synthesis.