methyl 2,4,5-trichlorophenyl methoxy(sulfanylidene)phosphonite

• ChemBase ID: 158119
• Molecular Formular: C8H8Cl3O3PS
• Molecular Mass: 321.545081
• Monoisotopic Mass: 319.89973479
• SMILES: COP(=S)(OC)Oc1cc(c(cc1Cl)Cl)Cl
• Canonical SMILES: COP(=S)(Oc1cc(Cl)c(cc1Cl)Cl)OC
• InChI: InChI=1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3
• InChIKey: JHJOOSLFWRRSGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2,4,5-trichlorophenyl methoxy(sulfanylidene)phosphonite
• IUPAC Traditional name: ronnel
• Synonyms: Fenchlorphos; Fenchlorphos; Ronnel; 皮蝇磷; 皮蝇磷; 皮蝇硫磷

Database IDs

• CAS Number: 299-84-3
• EC Number: 206-082-6
• MDL Number: MFCD00055245
• Beilstein Number: 1885571
• PubChem SID: 162252255; 24868981; 24868012
• PubChem CID: 9298

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.4737406
• LogD (pH = 7.4): 4.4737406
• Log P: 4.4737406
• Molar Refractivity: 70.2817 cm^3
• Polarizability: 28.591011 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: TG0525000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 21/22-50/53
• Safety Statements: 25-36/37-60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302 + H312-H410
• GHS Precautionary statements: P273-P280-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 100 mg
• Empirical Formula (Hill Notation): C8H8Cl3O3PS

DETAILS

Sigma Aldrich - 45485

Legal Information
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