Pyrimidine
Grundinformationen
- CAS
25247-63-6- Standard-SMILES
c1cncnc1- InChIKey
CZPWVGJYEJSRLH-UHFFFAOYSA-N- Summenformel
- C4H4N2
- Durchschnittliche Molmasse
- 80,09 g/mol
- Monoisotopische Masse
- 80,03744813
Überblick
Pyrimidine is the parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions. It has a role as a Daphnia magna metabolite. It is a diazine and a member of pyrimidines.
Namen und Bezeichner
- Bevorzugter Name
- Pyrimidine
- IUPAC
- pyrimidine
- Englischer Name
- pyrimidine
- Summenformel
- C4H4N2
- Molmasse
- 80.09
Namen und Synonyme
PYRIMIDINE289-95-21,3-DiazineMetadiazinem-DiazineMiazinePyrimidine base1,3-DiazinK8CXK5Q32LNSC-89305DTXSID1051228CHEBI:16898
Weitere Namen anzeigen
RefChem:6186DTXCID4029850206-026-01,3-DiazabenzeneMFCD00006059pyrimidine phase INSC89305pyrimidine phase II
Datenbank-Bezeichner
- CAS
25247-63-6、289-95-2- PubChem CID
- 9260
- DTXSID
DTXSID1051228- ChEMBL
CHEMBL15562- ChEBI
CHEBI:16898- UNII
- K8CXK5Q32L
- EC Number
- 206-026-0
- Nikkaji
- J2.568B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,4
- Polarare Oberfläche (TPSA)
- 25,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 32,5
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Pyrimidines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP
-0.40
-0.34
Solubility1000 mg/mL at 25 °C
Melting Point22 °C
Vapor Pressure12.9 [mmHg]
Physical Description
Liquid
Liquid or solid with a penetrating odor; mp = 20-22 deg C; [Merck Index] Clear, slightly brownish-yellow liquid; Hygroscopic; mp = 19 deg C; [Aldrich MSDS]
Solid
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H226 (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.
Gefahrenhinweise
Regulatory Information
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
Hazards SummaryFlammable; May cause irritation; [Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (98.3%)
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 22,928 lb
Industry UsesIntermediate
General Manufacturing Information
Cyclic Crude and Intermediate Manufacturing
Pyrimidine: ACTIVE
Zugehörige Reaktionen
130
Notizen zur Verbindung
Wird geladen…