Methyl 4,6-dichloropyridazine-3-carboxylate

HCID 17848322

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Grundinformationen

CAS: 372118-01-9
Standard-SMILES: COC(=O)c1nnc(Cl)cc1Cl
InChIKey: MZEVRGMQXLNKEZ-UHFFFAOYSA-N
Summenformel: C6H4Cl2N2O2
Durchschnittliche Molmasse: 207,01 g/mol
Monoisotopische Masse: 205,9649828

Namen und Bezeichner

Bevorzugter Name: Methyl 4,6-dichloropyridazine-3-carboxylate
IUPAC: methyl 4,6-dichloropyridazine-3-carboxylate
Englischer Name: Methyl 4,6-dichloropyridazine-3-carboxylate
Summenformel: C6H4Cl2N2O2
Molmasse: 207.01

Namen und Synonyme

Methyl 4,6-dichloropyridazine-3-carboxylate372118-01-93-PYRIDAZINECARBOXYLIC ACID, 4,6-DICHLORO-, METHYL ESTERDTXSID30591259RefChem:815699DTXCID70542023810-083-2MFCD099536124,6-DICHLORO-PYRIDAZINE-3-CARBOXYLIC ACID METHYL ESTER3-methoxycarbonyl-4,6-dichloropyridazineSCHEMBL13437784,6-dichloropyridazine-3-carboxylic acid methyl ester

Weitere Namen anzeigen

Deucravacitinib intermediate4,6-Dichloro-4-(methoxycarbonyl)pyridazineMETHYL 4,6-DICHLOROPYRIDAZINE-3-CARBOXYLATMethyl 4,6-dichloro-3-pyridazinecarboxylate4,6-dichloropyridazine-3-carboxylate MethylMethyl4,6-dichloropyridazine-3-carboxylate,97%6-dichloro-pyridazine-3-carboxylic acid methyl ester4,6-dichloropyridazin-3-carboxylic acid methyl ester

43BS5MJY3LSCHEMBL29922648MZEVRGMQXLNKEZ-UHFFFAOYSA-NAKOS015919938AB55529CS-W008919AC-27270DA-32532

Datenbank-Bezeichner

CAS: 372118-01-9
PubChem CID: 17848322
DTXSID: DTXSID30591259
UNII: 43BS5MJY3L
EC Number: 810-083-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
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

Siedepunkt: 345.2 · 345.2±37.0 °C(Predicted)
Dichte: 1.503 · 1.503±0.06 g/cm3(Predicted)
Brechungsindex: 1.552 · 1.552
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: DMSO (Slightly), Methanol (Very Slightly)
pka: -2.3 · -2.30±0.10(Predicted)
Aggregatzustand: powder
Farbe: Light beige/light brown crystalline
InChI: InChI=1S/C6H4Cl2N2O2/c1-12-6(11)5-3(7)2-4(8)9-10-5/h2H,1H3
InChIKey: MZEVRGMQXLNKEZ-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NN=C(Cl)C=C1Cl

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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (20%)

Sicherheitsdaten

hs_code: 2933998090

Chemie und Industrie

Anwendungen

VerwendenMethyl 4,6-dichloropyridazine-3-carboxylate is an organic intermediate commonly used in laboratory research and development as a raw material for organic synthesis.