Ethyl 6-chloro-3-pyridazinecarboxylate

C₇H₇ClN₂O₂CAS 75680-92-1186.59 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₇H₇ClN₂O₂
Molar mass: 186.59 g/mol
Exact mass: 186.0196 Da
Melting point: 147–149 °C
logP: 1.31Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

75680-92-1

SMILES

CCOC(=O)c1ccc(Cl)nn1

InChIKey

GVSVPKDEHFOXSW-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClN2O2/c1-2-12-7(11)5-3-4-6(8)10-9-5/h3-4H,2H2,1H3

Weigh it out

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

Names and synonyms

2 names

3-Pyridazinecarboxylic acid, 6-chloro-, ethyl ester
Ethyl 6-chloropyridazine-3-carboxylate

Work with Ethyl 6-chloro-3-pyridazinecarboxylate

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

Methyl 6-chloropyridazine-3-carboxylate65202-50-864 % similar Ethyl 6-chloropicolinate21190-89-663 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-358 % similar Ethyl 6-chloronicotinate49608-01-757 % similar Ethyl 4,6-dichloropyridazine-3-carboxylate679406-03-256 % similar Ethyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate64067-99-856 % similar 2,5-Pyridinedicarboxylic acid diethyl ester5552-44-353 % similar Ethyl 2-chloro-1,3-thiazole-4-carboxylate41731-52-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6-Chloro-4-nitro-o-toluidine13852-51-2 4-Chloro-2,6-dimethyl-3-nitropyridine15513-48-1 Methyl 3-amino-2-chloroisonicotinate173435-41-1 4-Chloro-2-methyl-6-nitroaniline62790-50-5 2-Chloro-6-methyl-4-nitrobenzenamine69951-02-6 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-6 Methyl 5-chloro-6-methylpyrazine-2-carboxylate77168-85-5 2-Chloro-pyrimidine-5-carboxylic acid ethyl ester89793-12-4

Elsewhere

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