2,4-dichlorophenyl ethyl ethoxy(sulfanylidene)phosphonite

• ChemBase ID: 107564
• Molecular Formular: C10H13Cl2O3PS
• Molecular Mass: 315.153181
• Monoisotopic Mass: 313.97000727
• SMILES: CCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl
• Canonical SMILES: CCOP(=S)(Oc1ccc(cc1Cl)Cl)OCC
• InChI: InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3
• InChIKey: WGOWCPGHOCIHBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichlorophenyl ethyl ethoxy(sulfanylidene)phosphonite
• IUPAC Traditional name: dichlofenthion; 2,4-dichlorophenyl ethyl ethoxy(sulfanylidene)phosphonite
• Synonyms: Dichlofenthion; o-(2,4-DICHLOROPHENYL)-O,O-DIETHYLPHOSPHOROTHIONATE; 除线磷

Database IDs

• CAS Number: 97-17-6
• EC Number: 202-564-5
• MDL Number: MFCD00045182
• Beilstein Number: 1993440
• PubChem SID: 24868568; 24899086; 162095096
• PubChem CID: 7328

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5833116
• LogD (pH = 7.4): 4.5833116
• Log P: 4.5833116
• Molar Refractivity: 74.9741 cm^3
• Polarizability: 30.264166 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >100 °C; >212 °F; 100 °C; 210 °F
• Density: 1.3 g/ml

Safety Information

• RTECS: TF0350000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22-50/53; R:22-50/53
• Safety Statements: 60-61; S:60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H410
• GHS Precautionary statements: P273-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 2810 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 1000 mg
• Empirical Formula (Hill Notation): C10H13Cl2O3PS

DETAILS

MP Biomedicals - 05204184

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 45432

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