Methyl 2,4-dichloropyrimidine-6-carboxylate

HCID 239689CAS 6299-85-0

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Grundinformationen

Standard-SMILES: COC(=O)c1cc(Cl)nc(Cl)n1
InChIKey: DQNQNLWKAGZNIT-UHFFFAOYSA-N
Summenformel: C6H4Cl2N2O2
Durchschnittliche Molmasse: 207,01 g/mol
Monoisotopische Masse: 205,96498273

Namen und Bezeichner

Bevorzugter Name: Methyl 2,4-dichloropyrimidine-6-carboxylate
IUPAC: methyl 2,6-dichloropyrimidine-4-carboxylate
Englischer Name: Methyl 2,4-dichloropyrimidine-6-carboxylate
Summenformel: C6H4Cl2N2O2
Molmasse: 207.01

Namen und Synonyme

Methyl 2,4-dichloropyrimidine-6-carboxylateDTXSID70286359RefChem:812937DTXCID30237509674-238-46299-85-0methyl 2,6-dichloropyrimidine-4-carboxylateMFCD01941317C6H4Cl2N2O22,6-dichloropyrimidine-4-carboxylic acid methyl ester4-Pyrimidinecarboxylic acid, 2,6-dichloro-, methyl esterMethyl 2,4-Dichloro-pyrimidine-6-carboxylate

Weitere Namen anzeigen

2,6-dichloropyrimidine-4-carboxylate2,6-Dichloro-pyrimidine-4-carboxylic acid methyl ester6-c2-(3-CHLOROPHENYL)MALONDIALDEHYDE2,4-dichloropyrimidine-6-carboxylate2-(3-chlorophenyl)malondialdehyde,98%2,4-Dichloro-6-(methoxycarbonyl)pyrimidineMethyl 2,6-dichloropyrimidin-4-carboxylate

NSC45044methyl 2,6-dichloro-4-pyrimidinecarboxylateMethyl2,6-Dichloropyrimidine-4-carboxylateSCHEMBL112719SCHEMBL30307699DQNQNLWKAGZNIT-UHFFFAOYSA-N2,6-DICHLORO-4-PYRIMIDINECARBOXYLICACID METHYL ESTERNSC-45044

Datenbank-Bezeichner

CAS: 6299-85-0
PubChem CID: 239689
DTXSID: DTXSID70286359
EC Number: 674-238-4
Nikkaji: J263.924F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 52,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 179

Physikochemische Eigenschaften

Schmelzpunkt: 54 · 54-56
Siedepunkt: 306 · 306 ºC
Dichte: 1.503 · 1.503
Flammpunkt: 139 · 139 ºC
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: White to off white to faint cream flakes
pka: -5.83 · -5.83±0.30(Predicted)
InChI: InChI=1S/C6H4Cl2N2O2/c1-12-5(11)3-2-4(7)10-6(8)9-3/h2H,1H3
InChIKey: DQNQNLWKAGZNIT-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC(C(OC)=O)=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.