ethyl 1-phenyl-1H-1,2,4-triazol-3-yl ethoxy(sulfanylidene)phosphonite

• ChemBase ID: 129972
• Molecular Formular: C12H16N3O3PS
• Molecular Mass: 313.312501
• Monoisotopic Mass: 313.06499902
• SMILES: S=P(OCC)(OCC)Oc1ncn(n1)c1ccccc1
• Canonical SMILES: CCOP(=S)(Oc1ncn(n1)c1ccccc1)OCC
• InChI: InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
• InChIKey: AMFGTOFWMRQMEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-phenyl-1H-1,2,4-triazol-3-yl ethoxy(sulfanylidene)phosphonite
• IUPAC Traditional name: triazophos
• Synonyms: Triazophos; Triazofos; Phosphorothioic Acid O,O-Diethyl O-(1-Phenyl-1H-1,2,4-triazol-3-yl) Ester; 1-Phenyl-3-(O,O-diethylthionophosphoryl)-1,2,4-triazole; HOE 2960; Hostathion; Hostation; Triazofos; Triazophos 85%; 三唑磷

Database IDs

• CAS Number: 24017-47-8
• EC Number: 245-986-5
• MDL Number: MFCD00055327
• Beilstein Number: 682554
• PubChem SID: 24869265; 162224258
• PubChem CID: 32184
• Chemspider ID: 29847
• Wikipedia Title: Triazofos

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4533072
• LogD (pH = 7.4): 3.4533072
• Log P: 3.4533072
• Molar Refractivity: 82.8463 cm^3
• Polarizability: 32.651535 Å^3
• Polar Surface Area: 58.4 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 1992
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 21-23/25-50/53
• Safety Statements: 36/37-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301 + H331-H312-H410
• GHS Precautionary statements: P261-P273-P280-P301 + P310-P311-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1992 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Grade: PESTANAL®, analytical standard
• Description: technical mixture, approx. 70% in xylene
• Empirical Formula (Hill Notation): C12H16N3O3PS

DETAILS

Sigma Aldrich - 45696

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

Toronto Research Chemicals - T767595

An organophosphorus insecticide.

REFERENCES

• Bhosale, B., et al.: Pestol., 33, 38 (2009)
• Dash, D., et al.: J. Entomol. Res., 33, 105 (2009)
• Hu, Y., et al.: J. Agric. Food Chem., 58, 2801 (2009)