4,6-Dichloropyridazine-3-carboxylic acid methyl ester

C₆H₄Cl₂N₂O₂CAS 372118-01-9207.01 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₆H₄Cl₂N₂O₂
Molar mass: 207.01 g/mol
Exact mass: 205.9650 Da
logP: 1.57Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number

372118-01-9

SMILES

COC(=O)c1nnc(Cl)cc1Cl

InChIKey

MZEVRGMQXLNKEZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl2N2O2/c1-12-6(11)5-3(7)2-4(8)9-10-5/h2H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

3-Pyridazinecarboxylic acid, 4,6-dichloro-, methyl ester
3-Methoxycarbonyl-4,6-dichloropyridazine
Methyl 4,6-dichloropyridazine-3-carboxylate

Work with 4,6-Dichloropyridazine-3-carboxylic acid methyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 4,6-dichloropyridazine-3-carboxylate679406-03-266 % similar Methyl4,6-dichloronicotinate65973-52-656 % similar 4,6-Dichloro-3-pyridazinecarboxylic acid1040246-87-454 % similar Methyl 6-chloropyridazine-4-carboxylate1093860-48-054 % similar 5-Bromo-3-chloro-2-pyridinecarboxylic acid methyl ester1214336-41-054 % similar Methyl 6-chloropyridazine-3-carboxylate65202-50-853 % similar Methyl 2,6-dichloroisonicotinate42521-09-551 % similar Methyl 2,6-dichlorobenzoate14920-87-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Aminopyralid150114-71-9 2,4-Dichloro-6-nitroaniline2683-43-4 Methyl 3,6-dichloropyridazine-4-carboxylate286946-24-5 Methyl2,4-dichloropyrimidine-5-carboxylate3177-20-6 2,6-Dichloro-3-methyl-5-nitropyridine58596-88-6 2,6-Dichloro-4-methyl-3-nitropyridine60010-03-9 2,4-Dichloro-6-methyl-3-nitropyridine63897-12-1 2,5-Dichloro-4-nitrobenzenamine6627-34-5

Elsewhere

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