(2H5)ethyl 3,5,6-trichloropyridin-2-yl (2H5)ethoxy(sulfanylidene)phosphonite

• ChemBase ID: 147350
• Molecular Formular: C9H11Cl3NO3PS
• Molecular Mass: 350.586301
• Monoisotopic Mass: 348.92628389
• SMILES: CCOP(=S)(Oc1c(cc(c(n1)Cl)Cl)Cl)OCC
• Canonical SMILES: CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC
• InChI: InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
• InChIKey: SBPBAQFWLVIOKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₅)ethyl 3,5,6-trichloropyridin-2-yl (^2H₅)ethoxy(sulfanylidene)phosphonite
• IUPAC Traditional name: (^2H₅)ethyl 3,5,6-trichloropyridin-2-yl (^2H₅)ethoxy(sulfanylidene)phosphonite
• Synonyms: Chlorpyrifos-(diethyl-d10); 毒死蜱-二乙基-d10

Database IDs

• CAS Number: 285138-81-0
• MDL Number: MFCD01321400
• PubChem SID: 24872406; 162241539
• PubChem CID: 16213399

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.7843184
• LogD (pH = 7.4): 4.7843184
• Log P: 4.7843184
• Molar Refractivity: 78.9968 cm^3
• Polarizability: 31.490517 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 38-39 °C(lit.)
• Mass Shift: M+10

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 25-50/53
• Safety Statements: 45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H410
• GHS Precautionary statements: P273-P301 + P310-P501
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

Product Information

• Purity: 97% (CP)
• Isotopic Purity: 99 atom % D
• Mol. Weight: mol wt 360.55 by atom % calculation
• Empirical Formula (Hill Notation): C9HD10Cl3NO3PS

DETAILS

Sigma Aldrich - 488569

Packaging
100 mg in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.