4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine

• ChemBase ID: 125865
• Molecular Formular: C9H5Cl3N4
• Molecular Mass: 275.5218
• Monoisotopic Mass: 273.95797922
• SMILES: Clc1nc(nc(Cl)n1)Nc1ccccc1Cl
• Canonical SMILES: Clc1nc(nc(n1)Cl)Nc1ccccc1Cl
• InChI: InChI=1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
• InChIKey: IMHBYKMAHXWHRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine
• IUPAC Traditional name: anilazine
• Synonyms: 6-(2-Chloroanilino)-2,4-dichloro-1,3,5-triazine; Anilazine; 4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine; 2,4-Dichloro-6-(2-chloranilino)-s-triazine; Aniyaline; B 622; Bortrysan; Dyrene; Dyrene 50W; Dyrene Flussig; Kemate; NSC 3851; Triazin; Triazine; Zinochlor; Anilazine (Dyrene);dyrene; Anilazine; 6-(2-氯代苯氨基)-2,4-二氯-1,3,5-三嗪; 敌菌灵

Database IDs

• CAS Number: 101-05-3
• EC Number: 202-910-5
• MDL Number: MFCD00041815
• Beilstein Number: 223133
• PubChem SID: 162220210; 24899211; 24868778
• PubChem CID: 7541
• CHEMBL: 464135
• Chemspider ID: 7260
• KEGG ID: C18935
• Wikipedia Title: Anilazine

CALCULATED PROPERTIES

• Acid pKa: 10.494026
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.395585
• LogD (pH = 7.4): 4.395248
• Log P: 4.3955894
• Molar Refractivity: 66.7558 cm^3
• Polarizability: 24.41288 Å^3
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: white to light brown crystals or powder
• Flash Point: 232.2 °C
• Density: 1.611 g/cm^3

Safety Information

• RTECS: XY7175000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/38-50/53
• Safety Statements: 22-60-61
• GHS Pictograms: GHS05; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H319-H410
• GHS Precautionary statements: P273-P280-P305 + P351 + P338-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 3077 9/PG 3
• Storage Temperature: 2-8°C

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 250 mg
• Empirical Formula (Hill Notation): C9H5Cl3N4

DETAILS

Sigma Aldrich - 31464

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

Toronto Research Chemicals - A659800

Pesticide used to control fungus diseases in lawns and turf.

REFERENCES

• Didikolu, L., et al.: J. Vet. Pharmacol., Ther., 32, 368 (2009)
• Liu, Bi., et al.: J. Agric. Food Chem., 58, 2673 (2009)