4,6-Dimethylpyrimidin

4,6-Dimethylpyrimidine

HCID 15257

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Grundinformationen

CAS: 1558-17-4
Standard-SMILES: Cc1cc(C)ncn1
InChIKey: LSBIUXKNVUBKRI-UHFFFAOYSA-N
Summenformel: C6H8N2
Durchschnittliche Molmasse: 108,14 g/mol
Monoisotopische Masse: 108,06874826

Namen und Bezeichner

Bevorzugter Name: 4,6-Dimethylpyrimidine
IUPAC: 4,6-dimethylpyrimidine
Lokaler Name: 4,6-Dimethylpyrimidin
Englischer Name: 4,6-DIMETHYLPYRIMIDINE
Summenformel: C6H8N2
Molmasse: 108.14

Namen und Synonyme

4,6-DIMETHYLPYRIMIDINE1558-17-4Pyrimidine, 4,6-dimethyl-UNII-95N99D3VHB95N99D3VHBEINECS 216-314-8NSC 60686NSC-60686DTXSID2061777RefChem:96673DTXCID7035012216-314-8

Weitere Namen anzeigen

Pyrimidine,4,6-dimethyl-4,6-dimethyl-pyrimidinDimethylpyrimidinetech4,6-Dimethylpyrimidine>4,6-DIMETHYLPYRIMIDINE 95+%4,6-DIMETHYLPYRIMIDINE (98%)4,6-DIMETHYLPYRIMIDINE (97%)4,6-Dimethylpyrimidine,93%,tech.

InChI=1/C6H8N2/c1-5-3-6(2)8-4-7-5/h3-4H,1-2HLSBIUXKNVUBKRI-UHFFFAOYSA-N4,6-Dimethyl-pyrimidineMFCD00006116NSC606864,6-dimethyl-pyrmidineSCHEMBL161508SCHEMBL353236

Datenbank-Bezeichner

CAS: 1558-17-4
PubChem CID: 15257
DTXSID: DTXSID2061777
UNII: 95N99D3VHB
EC Number: 216-314-8
Nikkaji: J110.359H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 64,9

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP0.62

Physikochemische Eigenschaften

Schmelzpunkt: 25 °C · 25°C
Siedepunkt: 154 °C · 154 °C (lit.)
Dichte: 0.98 g/mL · 0.98 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.490(lit.)
Flammpunkt: 115 °F · 115 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Liquid After Melting
pka: 3.04 · 3.04±0.17(Predicted)
Wichte: 0.98 · 0.98
Farbe: Clear yellow
Wasserlöslichkeit: 20 °C · Soluble in water at 20°C.
BRN: 107068 · 107068
InChI: 1S/C6H8N2/c1-5-3-6(2)8-4-7-5/h3-4H,1-2H3
InChIKey: LSBIUXKNVUBKRI-UHFFFAOYSA-N
SMILES: Cc1cc(C)ncn1
CAS Datenbank: 1558 · 1558-17-4(CAS DataBase Reference)
NIST chemische Informationen: 4 · Pyrimidine, 4,6-dimethyl-(1558-17-4)
EPA chemische Informationen: 4 · Pyrimidine, 4,6-dimethyl- (1558-17-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (97.8%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29335990
risk_code: 10
safety_code: 23-24/25-16
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPyrimidine, 4,6-dimethyl-: INACTIVE

Anwendungen

Verwenden4,6-Dimethylpyrimidine is used to produce (6-methyl-pyrimidin-4-yl)-pyruvic acid ethyl ester. It is used as pharmaceutical intermediate. It is also used in agrochemical and dyestuff field.