ethyl ethyl(phenylsulfanyl)sulfanylidenephosphinite

• ChemBase ID: 127468
• Molecular Formular: C10H15OPS2
• Molecular Mass: 246.329261
• Monoisotopic Mass: 246.03019373
• SMILES: S=P(Sc1ccccc1)(OCC)CC
• Canonical SMILES: CCP(=S)(Sc1ccccc1)OCC
• InChI: InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
• InChIKey: KVGLBTYUCJYMND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl ethyl(phenylsulfanyl)sulfanylidenephosphinite
• IUPAC Traditional name: doubledown
• Synonyms: Fonofos solution; Fonofos; Fonofos; Dyfonate; 地虫磷 溶液; 地虫磷; 地虫硫膦

Database IDs

• CAS Number: 944-22-9
• EC Number: 213-408-0
• MDL Number: MFCD00055421
• Beilstein Number: 1958949
• PubChem SID: 162221787; 24899265
• PubChem CID: 13676
• Chemspider ID: 13087
• Wikipedia Title: Fonofos

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5904396
• LogD (pH = 7.4): 3.5904396
• Log P: 3.5904396
• Molar Refractivity: 67.9377 cm^3
• Polarizability: 28.12217 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 130°C (0.13 mbar)
• Flash Point: 2 °C; 35.6 °F
• Density: 1.16 g/cm^3

Safety Information

• RTECS: TA5950000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Highly toxic (T+); Harmful (Xn)
• UN Number: 1648; 2810
• German water hazard class: 2; 3
• Hazard Class: 3; 6.1
• Packing Group: 1; 2
• Risk Statements: 11-20/21/22-36-52/53; 23-27/28-50/53
• Safety Statements: 16-26-36/37-61; 28-36/37-45-60-61
• GHS Pictograms: GHS02; GHS06; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302 + H332-H319-H412; H300 +H310 + H330-H410
• GHS Precautionary statements: P210-P273-P305 + P351 + P338; P260-P264-P273-P280-P284-P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1648 3/PG 2; UN 2810 6.1/PG 1

Product Information

• Concentration: 100 ng/μL in acetonitrile
• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 100 mg
• Empirical Formula (Hill Notation): C10H15OPS2

DETAILS

Sigma Aldrich - 33587

Legal Information
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