5-amino-4-chloro-2-phenyl-2,3-dihydropyridazin-3-one

• ChemBase ID: 58777
• Molecular Formular: C10H8ClN3O
• Molecular Mass: 221.64302
• Monoisotopic Mass: 221.03558957
• SMILES: c1(c(=O)n(ncc1N)c1ccccc1)Cl
• Canonical SMILES: Nc1cnn(c(=O)c1Cl)c1ccccc1
• InChI: InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2
• InChIKey: WYKYKTKDBLFHCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-4-chloro-2-phenyl-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: chloridazon
• Synonyms: 5-Amino-4-chloro-2-phenylpyridazin-3(2H)-one; 5-Amino-4-chloro-2-phenyl-3(2H)-pyridazinone; 1-Phenyl-4-amino-5-chloropyridazin-6-one; 5-Amino-4-chloro-2,3-dihydro-3-oxo-2-phenylpyridazine; Betoxon; Burex; Chloridazone; HS 119-1; PAC; Phenosane; Pyramin; Pyramin FL; Pyramin Turbo; Pyramine; Pyrazon; Suzon; Chloridazon; Pyrazone; Chloridazon; Chloridazon; Pyrazon; 杀草敏; 氯草敏; 氯草敏; 杀草敏

Database IDs

• CAS Number: 1698-60-8
• EC Number: 216-920-2
• MDL Number: MFCD00055402
• Beilstein Number: 397241
• PubChem SID: 24899230; 24868860; 162063540
• PubChem CID: 15546

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1054422
• LogD (pH = 7.4): 1.1054422
• Log P: 1.1054422
• Molar Refractivity: 59.0514 cm^3
• Polarizability: 21.651985 Å^3
• Polar Surface Area: 58.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Brown Solid
• Melting Point: 198-200°C

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere
• Storage Warning: IRRITANT
• RTECS: UR6125000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 43-50/53
• Safety Statements: 24-37-60-61
• TSCA Listed: false
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H317-H410
• GHS Precautionary statements: P273-P280-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 97%
• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: pkg of 250 mg
• Empirical Formula (Hill Notation): C10H8ClN3O

DETAILS

Sigma Aldrich - 45385

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - C340000

Herbicide, active by perturbing cell membranes

REFERENCES

• Hollender, J., et al.: Environ. Sci. Technol., 43, 7862 (2009)
• Bollman, S., et al.: Weed Technol., 23, 264 (2009)
• Goudarzi, N., et al.: J. Agric. Food Chem., 57, 7153 (2009)