3-Chloro-6-(trifluoromethyl)pyridazine

C₅H₂ClF₃N₂CAS 258506-68-2182.53 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₅H₂ClF₃N₂
Molar mass: 182.53 g/mol
Exact mass: 181.9859 Da
Melting point: 92–96 °C
logP: 2.15Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed92.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

258506-68-2

SMILES

FC(F)(F)c1ccc(Cl)nn1

InChIKey

AZNKQIFEMQHORS-UHFFFAOYSA-N

InChI

InChI=1S/C5H2ClF3N2/c6-4-2-1-3(10-11-4)5(7,8)9/h1-2H

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

Names and synonyms

1 names

Pyridazine, 3-chloro-6-(trifluoromethyl)-

Work with 3-Chloro-6-(trifluoromethyl)pyridazine

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

3,6-Dichloropyridazine141-30-055 % similar 2-Chloro-6-(trifluoromethyl)pyridine39890-95-452 % similar 2,4-Dichloro-6-(trifluoromethyl)pyrimidine16097-64-645 % similar 2-Chloro-5-(trifluoromethyl)pyridine52334-81-345 % similar 2,6-Bis(trifluoromethyl)pyridine455-00-544 % similar 2,6-Dichloro-3-(trifluoromethyl)pyridine55304-75-144 % similar 3-Chloro-6-methylpyridazine1121-79-541 % similar 3-Chloro-6-iodopyridazine135034-10-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4-(trifluoromethyl)pyrimidine33034-67-2 4-Chloro-6-trifluoromethylpyrimidine37552-81-1 2-Chloro-5-(trifluoromethyl)pyrimidine69034-12-4 2-Chloro-5-(trifluoromethyl)pyrazine799557-87-2

Elsewhere

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