4,6-Dimethylpyrimidin-2-ol (HCID 9508)

Namen und Bezeichner

Bevorzugter Name: 4,6-Dimethylpyrimidin-2-ol
IUPAC: 4,6-Dimethylpyrimidin-2(1H)-one
Lokaler Name: 4,6-Dimethylpyrimidin-2-ol
Englischer Name: 4,6-Dimethyl-2-hydroxypyrimidine
Summenformel: C6H8N2O
Molmasse: 124.14

Namen und Synonyme

4,6-DIMETHYLPYRIMIDIN-2-OL2-HYDROXY-4,6-DIMETHYLPYRIMIDINE4,6-Dimethyl-2-pyrimidone4,6-dimethyl-1,2-dihydro-2-pyrimidoneTIMTEC-BB SBB0042714,6-Dimethyl-2-pyrimidol4,6-DIMETHYL-2-PYRIMIDINOL4,6-Dimethyl-2-pyrimidinone4,6-Dimethyl-2(1H)-pyrimidone4,6-dimethyl-2(1h)-pyrimidinon

Datenbank-Bezeichner

CAS: 108-79-2
PubChem CID: 9508
DTXSID: DTXSID5043762
ChEMBL: CHEMBL3706457
UNII: HG0CBN4V9F
EC Number: 203-617-5
Nikkaji: J27.912I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 41,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 203

Physikochemische Eigenschaften

Schmelzpunkt: 201 · 201-205 °C
Siedepunkt: 230.92 °C · 230.92°C (rough estimate)
Dichte: 1.1683 · 1.1683 (rough estimate)
Brechungsindex: 1.5378 · 1.5378 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: 10.34 · 10.34±0.10(Predicted)
Aggregatzustand: Solid
Farbe: Off-White to Pale Yellow
CAS Datenbank: 108 · 108-79-2(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4,6-Dimethyl-2-pyrimidinol(108-79-2)
EPA chemische Informationen: 2 · 2(1H)-Pyrimidinone, 4,6-dimethyl- (108-79-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.

Warning

H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 6 reports by companies.；There are 2 notifications provided by 5 of 6 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 2(1H)-Pyrimidinone, 4,6-dimethyl-

Regulation (EC) No 1831/2003 (amended)

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (83.3%)；Eye Irrit. 2 (83.3%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: 2(1H)-Pyrimidinone, 4,6-dimethyl-

Regulation (EC) No 1831/2003 (amended)

Sicherheitsdaten

tsca: TSCA listed
hs_code: 29335990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-45-37-28
hazard_class: IRRITANT

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing Information2(1H)-Pyrimidinone, 4,6-dimethyl-: INACTIVE

Anwendungen · 2 Einträge

Beschreibung4,6-Dimethyl-2-hydroxypyrimidine (4,6-DHP) is a synthetic pyrimidine analogue classified as a functional nutritional compound[6]. The hydrochloride salt serves as a precursor for synthesizing 4,6-dimethyl-2-chloropyrimidine via reaction with phosphorus oxychloride[4]. It acts as a ligand in coordination chemistry, reacting with copper(II) perchlorate in aqueous ammonia to form [(NH3)2Cu(dmpymo)](ClO4)·2H2O, and with palladium complexes to yield [(dach)Pd(2-dmpymo)]4(NO3)4[5][7].

Verwenden4,6-Dimethyl-2-hydroxypyrimidine is a component of Nicarbazine (N394530), a coccidiostat, which is an antiprotozoal agent that acts upon Coccidia parasites.