2,4-Dimethoxypyrimidine

HCID 137976CAS 3551-55-1

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Grundinformationen

Standard-SMILES: COc1ccnc(OC)n1
InChIKey: KEVRHVMWBKFGLO-UHFFFAOYSA-N
Summenformel: C6H8N2O2
Durchschnittliche Molmasse: 140,14 g/mol
Monoisotopische Masse: 140,0585775

Namen und Bezeichner

Bevorzugter Name: 2,4-Dimethoxypyrimidine
IUPAC: 2,4-dimethoxypyrimidine
Englischer Name: 2,4-Dimethoxypyrimidine
Summenformel: C6H8N2O2
Molmasse: 140.14

Namen und Synonyme

2,4-Dimethoxypyrimidine3551-55-1Pyrimidine, 2,4-dimethoxy-UNII-980K6DH82B980K6DH82B2,4-DI-O-METHYLURACILKEVRHVMWBKFGLO-UHFFFAOYSA-DTXSID10189017RefChem:82488DTXCID40111508InChI=1/C6H8N2O2/c1-9-5-3-4-7-6(8-5)10-2/h3-4H,1-2H3KEVRHVMWBKFGLO-UHFFFAOYSA-N

Weitere Namen anzeigen

2,4-dimethoxypyrimdine2,4-Dimethoxypyrimidine>2,4-DIMETHOXYPYRIMIDINE 98%2,4-Dimethoxypyrimidine ,97%2,4-DIMETHOXYPYRIMIDINE, 99+%2,4-Dimethoxypyrimidine, 98+%2,4-Dimethoxypyrimidine ISO 9001：2015 REACHPyrimidine, 2,4-dimethoxy- (6CI,7CI,8CI,9CI)

MFCD00056028dimethoxypyrimidinePazopanib Impurity 212,4-Dimethoxypyrimidine, 97%AKOS015852211CS-W016466AC-26648SY017918

Datenbank-Bezeichner

CAS: 3551-55-1
PubChem CID: 137976
DTXSID: DTXSID10189017
UNII: 980K6DH82B
EC Number: 670-358-6
Nikkaji: J394.052G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 44,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 99,7

Physikochemische Eigenschaften

Schmelzpunkt: 17 °C · 17°C
Siedepunkt: 204 · 204-205 °C (lit.)
Dichte: 1.1501 g/mL · 1.1501 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.502(lit.)
Flammpunkt: 198 · 198-200 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Oil
pka: 2.69 · 2.69±0.20(Predicted)
Farbe: Clear Colorless
InChI: 1S/C6H8N2O2/c1-9-5-3-4-7-6(8-5)10-2/h3-4H,1-2H3
InChIKey: KEVRHVMWBKFGLO-UHFFFAOYSA-N
SMILES: COc1ccnc(OC)n1
CAS Datenbank: 3551 · 3551-55-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (20%)

Sicherheitsdaten

wgk: 3
ridadr: NA 1993 / PGIII
hs_code: 29335990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 23-24/25-36/37-26
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen

Verwenden2,4-Dimethoxypyrimidine, is a versatile building block used in synthesis of various chemical compounds, such as derivatives of Cytidine (C998300).