Methyl 4,6-dichloropyridazine-3-carboxylate

HCID 17848322

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Basic information

CAS: 372118-01-9
Standard SMILES: COC(=O)c1nnc(Cl)cc1Cl
InChIKey: MZEVRGMQXLNKEZ-UHFFFAOYSA-N
Molecular formula: C6H4Cl2N2O2
Average molar mass: 207.016 g/mol
Monoisotopic mass: 205.96498273

Names & identifiers

Preferred name: Methyl 4,6-dichloropyridazine-3-carboxylate
IUPAC: Methyl 4,6-dichloropyridazine-3-carboxylate
English name: Methyl 4,6-dichloropyridazine-3-carboxylate
Molecular formula: C6H4Cl2N2O2
Molecular weight: 207.01

Names & synonyms

Deucravacitinib intermediate3-Methoxycarbonyl-4,6-dichloropyridazine4,6-Dichloro-4-(methoxycarbonyl)pyridazineMETHYL 4,6-DICHLOROPYRIDAZINE-3-CARBOXYLATMethyl 4,6-dichloro-3-pyridazinecarboxylateMETHYL 4,6-DICHLOROPYRIDAZINE-3-CARBOXYLATE4,6-dichloropyridazine-3-carboxylate MethylMethyl4,6-dichloropyridazine-3-carboxylate,97%6-dichloro-pyridazine-3-carboxylic acid methyl ester4,6-dichloropyridazin-3-carboxylic acid methyl ester

Database identifiers

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

Properties

Physicochemical properties

Boiling point: 345.2 · 345.2±37.0 °C(Predicted)
Density: 1.503 · 1.503±0.06 g/cm3(Predicted)
refractive index: 1.552 · 1.552
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility: DMSO (Slightly), Methanol (Very Slightly)
pka: -2.3 · -2.30±0.10(Predicted)
form: powder
color: 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
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
HS Code: 2933998090 · 2933998090

Safety & regulation

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P271-P280

Chemistry & industry

Applications

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