chempirical

Chloridazon

C10H8ClN3OCAS 1698-60-8221.64 g/mol

Open in Covalent MOL file
H2NNNOCl
Aryl halidePrimary amine

Properties

Molecular formula
C10H8ClN3O
Molar mass
221.64 g/mol
Exact mass
221.0356 Da
Density
1.54 g/mL (at 20 °C)
Melting point
206 °C
pKa
3.38 (UV method, 25 °C)
Water solubility
400 mg/L (20 °C)
logP
1.47Crippen estimate
Polar surface area
60.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Harmonised EU classification (CLP Annex VI, index 606-035-00-3), via PubChem.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number
1698-60-8
SMILES
Nc1cnn(-c2ccccc2)c(=O)c1Cl
InChIKey
WYKYKTKDBLFHCY-UHFFFAOYSA-N
InChI
InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2

Weigh it out

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

Names and synonyms

35 names · show all
  • 3(2H)-Pyridazinone, 5-amino-4-chloro-2-phenyl-
  • 5-Amino-4-chloro-2-phenyl-3(2H)-pyridazinone
  • HS 119-1
  • 5-Amino-4-chloro-2,3-dihydro-3-oxo-2-phenylpyridazine
  • PCA
  • Phenazon
  • 1-Phenyl-4-amino-5-chloropyridazin-6-one
  • 1-Phenyl-4-amino-5-chloro-6-pyridazone
  • 1-Phenyl-4-amino-5-chloropyridazone-6
  • 1-Phenyl-4-amino-5-chlorpyridaz-6-one
  • Pyramine
  • Pyrazon
  • Phenazone
  • Phenazone (herbicide)
  • Pyramin
  • Pyramin (herbicide)
  • 4-Amino-5-chloro-1-phenylpyridazone
  • 5-Amino-4-chloro-2-phenyl-3(2H)-pyridazone
  • 1-Phenyl-4-amino-5-chloro-6(1H)-pyridazinone
  • 4-Amino-5-chloro-1-phenyl-6-pyridazone
  • 5-Amino-4-chloro-2-phenyl-3-pyridazinone
  • 4-Amino-5-chloro-1-phenyl-6-pyridazinone
  • 5-Amino-4-chloro-2-phenyl-2H-pyridazin-3-one
  • BAS 11916H
  • PAC
  • PAC (pesticide)
  • Chloridazone
  • Burex
  • BAS 13033
  • PCA (pesticide)
  • Suzon
  • Pyramin FL
  • Phenosane
  • Betoxon
  • Pyramin turbo

Work with Chloridazon

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

4,5-Dichloro-2-phenyl-3(2H)-pyridazinone1698-53-968 % similar 4,5-Dibromo-2-phenyl-3(2H)-pyridazinone14305-08-948 % similar 5-Amino-1-phenyl-4-pyrazolecarboxamide50427-77-539 % similar 5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile5334-43-039 % similar 4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine5334-30-537 % similar 5-Chloro-1-phenyl-1H-tetrazole14210-25-437 % similar 5-Methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride205113-77-535 % similar Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate16078-71-034 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook