2,6-Dimethyl 4-chloropyridine-2,6-dicarboxylate

HCID 237845CAS 5371-70-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COC(=O)c1cc(Cl)cc(C(=O)OC)n1
InChIKey: NFXKYKHKNUFOKB-UHFFFAOYSA-N
Summenformel: C9H8ClNO4
Durchschnittliche Molmasse: 229,62 g/mol
Monoisotopische Masse: 229,01418542

Namen und Bezeichner

Bevorzugter Name: 2,6-Dimethyl 4-chloropyridine-2,6-dicarboxylate
IUPAC: dimethyl 4-chloropyridine-2,6-dicarboxylate
Englischer Name: dimethyl 4-chloropyridine-2,6-dicarboxylate
Summenformel: C9H8ClNO4
Molmasse: 229.62

Namen und Synonyme

2,6-DIMETHYL 4-CHLOROPYRIDINE-2,6-DICARBOXYLATERefChem:445639811-004-4dimethyl 4-chloropyridine-2,6-dicarboxylate5371-70-0dimethyl 4-chloro-2,6-pyridinedicarboxylateMFCD026127812,6-Pyridinedicarboxylic acid, 4-chloro-, dimethyl esterDimethyl4-chloropyridine-2,6-dicarboxylate4-CHLORO-2,6-PYRIDINEDICARBOXYLIC ACID DIMETHYL ESTER2,6-Pyridinedicarboxylic acid, 4-chloro-, 2,6-dimethyl estermethyl 4-chloro-6-(methoxycarbonyl)pyridine-2-carboxylate

Weitere Namen anzeigen

NSC 417732,6-Bis(carbomethoxy)-4-chloropyridineDimethyl 4-Chloropyridine-2,6-Dicarboxylate,>98%Dimethyl 4-chloropyridine-2,6-dicarboxylate ,97%4-Chloro-2,6-pyridinedicarboxylic acid 2,6-dimethyl esterdimethyl 4-chloropyridine-2,6-dicarboxylate ISO 9001：2015 REACH

BCP10905METHYL 4-CHLOROPYRIDINE-2,6-DICARBOXYLATENSC417734-Chloropyridine-2,6-dicarboxylic acid,dimethyl esterFT-0689200orb1908335SCHEMBL1137177DTXSID30285424

Datenbank-Bezeichner

CAS: 5371-70-0
PubChem CID: 237845
DTXSID: DTXSID30285424
EC Number: 811-004-4
Nikkaji: J1.502.520D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 65,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 4
Schwere Atome: 15
Formalladung: 0
Komplexität: 234

Physikochemische Eigenschaften

Schmelzpunkt: 168 ℃ · 168℃
Siedepunkt: 355 ℃ · 355℃
Dichte: 1.347 · 1.347
Flammpunkt: 169 ℃ · 169℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Solid
pka: -2.4 · -2.40±0.10(Predicted)
Farbe: Pale yellow
Wasserlöslichkeit: Slightly soluble in water.

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.