ethyl bis(phenylsulfanyl)phosphinate

• ChemBase ID: 158211
• Molecular Formular: C14H15O2PS2
• Molecular Mass: 310.371461
• Monoisotopic Mass: 310.02510835
• SMILES: CCOP(=O)(Sc1ccccc1)Sc1ccccc1
• Canonical SMILES: CCOP(=O)(Sc1ccccc1)Sc1ccccc1
• InChI: InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3
• InChIKey: AWZOLILCOUMRDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl bis(phenylsulfanyl)phosphinate
• IUPAC Traditional name: edifenphos
• Synonyms: O-Ethyl S,S-diphenyl phosphorodithioate; Edifenphos; O-乙基 S,S-二苯基二硫代磷酸酯; 敌瘟磷（克瘟散）

Database IDs

• CAS Number: 17109-49-8
• EC Number: 241-178-1
• MDL Number: MFCD00078673
• Beilstein Number: 1988797
• PubChem SID: 24899156; 24868952; 162252347
• PubChem CID: 28292

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.7356124
• LogD (pH = 7.4): 4.7356124
• Log P: 4.7356124
• Molar Refractivity: 81.2138 cm^3
• Polarizability: 33.713608 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: TE3850000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 21-23/25-43-50/53; 23-24/25-43-50/53
• Safety Statements: 36/37-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301 + H311 + H331-H317-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 2810 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): C14H15O2PS2

DETAILS

Sigma Aldrich - 45467

Legal Information
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