Grundinformationen
- Standard-SMILES
Cc1cc(C)[nH]c(=O)n1.Cl- InChIKey
IFXXETYYSLJRNF-UHFFFAOYSA-N- Summenformel
- C6H8N2O.ClH
- Durchschnittliche Molmasse
- 160,6 g/mol
- Monoisotopische Masse
- 160,04034059
Namen und Bezeichner
- Bevorzugter Name
- 4,6-Dimethyl-2(1H)-pyrimidinone hydrochloride
- IUPAC
- 4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride
- Lokaler Name
- 4,6-Dimethyl-1H-pyrimidin-2-onhydrochlorid
- Englischer Name
- 4,6-Dimethyl-2-hydroxypyrimidine hydrochloride
- Summenformel
- C6H9ClN2O
- Molmasse
- 160.6
Namen und Synonyme
34289-60-64,6-dimethylpyrimidin-2-ol hydrochloride2-Hydroxy-4,6-dimethylpyrimidine hydrochloride4,6-Dimethyl-2(1H)-pyrimidinone hydrochloride4,6-Dimethyl-1H-pyrimidin-2-one hydrochlorideNSC-2030EINECS 251-919-0954294M54SNSC 20302(1H)-Pyrimidinone, 4,6-dimethyl-, monohydrochloride2-PYRIMIDINOL, 4,6-DIMETHYL-, HYDROCHLORIDE2(1H)-PYRIMIDINONE, 4,6-DIMETHYL-, HYDROCHLORIDE (1:1)
Weitere Namen anzeigen
4,6-Dimethyl-2-Hydroxypyrimid4,6-Dimethyl-2-hydroxypyrimidineHCl4,6-Dimethyl-1H-pyrimidin-2-one HCl2-Hydroxy-4,6-dimethylpyrimidine hyd4,6-DIMETHYL-2-PYRIMIDINOL HYDROCHLORIDE4,6-Dimethyl-2-Hydroxyrimidine Hydrochloride
RefChem:5081154,6-Dimethyl-2-hydroxypyrimidine hydrochlorideMFCD000353124,6-dimethyl-1H-pyrimidin-2-one;hydrochloride4,6-Dimethyl-2-hydroxypyrimidine HCl4,6-dimethyl-3-hydropyrimidin-2-one, chloride4,6-Dimethyl-2(1H)-pyrimidinone-13C,15N2HydrochlorideUNII-954294M54S
Datenbank-Bezeichner
- CAS
34289-60-6- PubChem CID
- 12343166
- DTXSID
DTXSID40955848- UNII
- 954294M54S
- EC Number
- 251-919-0
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 41,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 203
Physikochemische Eigenschaften
- Schmelzpunkt
- 260 °C · 260 °C (dec.) (lit.)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Aqueous Base (Slightly), Methanol (Very Slightly)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Stabilität
- Hygroscopic
- InChI
- 1S/C6H8N2O.ClH/c1-4-3-5(2)8-6(9)7-4;/h3H,1-2H3,(H,7,8,9);1H
- InChIKey
- IFXXETYYSLJRNF-UHFFFAOYSA-N
- SMILES
- Cl.Cc1cc(C)nc(O)n1
- CAS Datenbank
- 34289 · 34289-60-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationChemical: 2(1H)-Pyrimidinone, 4,6-dimethyl-, monohydrochloride
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2933599590
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden4,6-DiMethyl-2-hydroxypyriMidine Hydrochloride can be used in the preparation of indolizine compounds for use in antifungal combination therapy.
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