Methyl 2-chloro-6-methylpyrimidine-4-carboxylate

HCID 2736835CAS 89793-11-3

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Grundinformationen

Standard-SMILES: COC(=O)c1cc(C)nc(Cl)n1
InChIKey: ZNPORLVPCMFKOR-UHFFFAOYSA-N
Summenformel: C7H7ClN2O2
Durchschnittliche Molmasse: 186,59 g/mol
Monoisotopische Masse: 186,01960514

Namen und Bezeichner

Bevorzugter Name: Methyl 2-chloro-6-methylpyrimidine-4-carboxylate
IUPAC: methyl 2-chloro-6-methylpyrimidine-4-carboxylate
Englischer Name: Methyl 2-chloro-6-methylpyrimidine-4-carboxylate
Summenformel: C7H7ClN2O2
Molmasse: 186.6

Namen und Synonyme

Methyl 2-chloro-6-methylpyrimidine-4-carboxylate89793-11-3DTXSID10371637RefChem:354202DTXCID80322671672-864-2methyl 2-chloro-6-methyl-pyrimidine-4-carboxylateMFCD001179064-PYRIMIDINECARBOXYLIC ACID, 2-CHLORO-6-METHYL-, METHYL ESTERSCHEMBL350485ZNPORLVPCMFKOR-UHFFFAOYSA-NSBB053955

Weitere Namen anzeigen

BUTTPARK 43\57-822-Chloro-4-(methoxycarbonyl)-6-methylpyrimidineMethyl 2-chloro-6-methyl-4-pyrimidinecarboxylateMETHYL 2-CHLORO-4-METHYL-PYRIMIDINE-6-CARBOXYLATEEthyl 3-(trifluoromethyl)-1h-pyrazol-4-carboxylateMethyl 2-chloro-6-MethylpyriMidine-4-carboxylate 97%Methyl 2-chloro-6-methylpyrimidine-4-carboxylate ,98%Methyl 2-chloro-4-methylpyrimidine-6-carboxylate, HPLC +97%methyl 2-chloro-6-methyl-pyrimidine-4-carboxylate - [M87810]

AKOS005135922AB03487PS-3558CS-10727SY1626952-chloro-4-carbomethoxy-6-methylpyrimidineDB-015363CS-0045865

Datenbank-Bezeichner

CAS: 89793-11-3
PubChem CID: 2736835
DTXSID: DTXSID10371637
EC Number: 672-864-2
Nikkaji: J2.315.183I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 52,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 177

Physikochemische Eigenschaften

Schmelzpunkt: 108 · 108-113 °C
Siedepunkt: 306.5 · 306.5±22.0 °C(Predicted)
Dichte: 1.314 · 1.314±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Storage temp. -20°C
pka: -3.06 · -3.06±0.30(Predicted)
Aggregatzustand: Solid
InChI: 1S/C7H7ClN2O2/c1-4-3-5(6(11)12-2)10-7(8)9-4/h3H,1-2H3
InChIKey: ZNPORLVPCMFKOR-UHFFFAOYSA-N
SMILES: COC(=O)c1cc(C)nc(Cl)n1
CAS Datenbank: 89793 · 89793-11-3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.