3,4,5-Trichloropyridazine

C4HCl3N2CAS 14161-11-6183.42 g/mol

Open in Covalent MOL file
ClNNClCl
Aryl halide

Properties

Molecular formula
C4HCl3N2
Molar mass
183.42 g/mol
Exact mass
181.9205 Da
Melting point
56–58 °C
Boiling point
117–118 °C (at NaN Torr)
logP
2.44Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number
14161-11-6
SMILES
Clc1cnnc(Cl)c1Cl
InChIKey
GBAOOJAWDCNOGO-UHFFFAOYSA-N
InChI
InChI=1S/C4HCl3N2/c5-2-1-8-9-4(7)3(2)6/h1H

Weigh it out

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

Names and synonyms

2 names
  • Pyridazine, 3,4,5-trichloro-
  • NSC 75074

Work with 3,4,5-Trichloropyridazine

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

3,5-Dichloro-1,4-dihydropyridazin-4-imine53180-76-056 % similar 4,5-Dichloro-3(2H)-pyridazinone932-22-956 % similar 3,4,5-Trichloropyridine33216-52-346 % similar 3,4-Dichloropyridazine1677-80-144 % similar 2,3,4,6-Tetrachloropyridine14121-36-941 % similar 3-Bromo-4,5-dichloropyridine1001056-83-237 % similar 2,4,5,6-Tetrachloropyrimidine1780-40-135 % similar 2,3,5,6-Tetrachloropyridine2402-79-135 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,5,6-Trichloropyrimidine1780-27-4 2,4,6-Trichloropyrimidine3764-01-0 2,4,5-Trichloropyrimidine5750-76-5 3,4,6-Trichloropyridazine6082-66-2

Elsewhere

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