Pyrimidine

Identifikatoren & physikalische Daten

CAS No.	25247-63-6
Summenformel	C4H4N2
Durchschnittliche Molmasse	80,09 g/mol
Monoisotopische Masse	80,03744813 g/mol
SMILES	c1cncnc1
InChIKey	CZPWVGJYEJSRLH-UHFFFAOYSA-N
PubChem CID	9260
ChEMBL	CHEMBL15562
ChEBI	CHEBI:16898
EC No.	206-026-0
DTXSID	DTXSID1051228

XLogP	-0,4
Polarare Oberfläche (TPSA)	25,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	6
Formalladung	0
Komplexität	32,5
Stoffklassen	Nitrogen Compounds -> Pyrimidines
SpringerMaterials Properties	15N nuclear magnetic resonance spectrum
LogP (Verteilungskoeffizient)	-0.40-0.34
Löslichkeit	1000 mg/mL at 25 °C
Schmelzpunkt	22 °C
Dampfdruck	12.9 [mmHg]
Physical Description	LiquidLiquid or solid with a penetrating odormp = 20-22 deg C[Merck Index] Clear, slightly brownish-yellow liquidHygroscopicmp = 19 deg C[Aldrich MSDS]

GHS-Einstufung	DangerH226 (98.3%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P354+P338, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 60 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Pyrimidine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyrimidine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 13-11-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11327
Gefahrenübersicht	FlammableMay cause irritation[Aldrich MSDS]
Hazard Classes and Categories	Flam. Liq. 3 (98.3%)