ethyl 4-methanesulfinylphenyl ethoxy(sulfanylidene)phosphonite

• ChemBase ID: 127408
• Molecular Formular: C11H17O4PS2
• Molecular Mass: 308.354041
• Monoisotopic Mass: 308.03058765
• SMILES: S=P(Oc1ccc(cc1)S(=O)C)(OCC)OCC
• Canonical SMILES: CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC
• InChI: InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3
• InChIKey: XDNBJTQLKCIJBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-methanesulfinylphenyl ethoxy(sulfanylidene)phosphonite
• IUPAC Traditional name: fensulfothion
• Synonyms: Diethyl 4-(methylthio)phenyl phosphate; Fensulfothion; Fensulfothion; 4-(甲基硫代)苯基磷酸二乙酯; 丰索磷

Database IDs

• CAS Number: 115-90-2
• EC Number: 204-114-3
• MDL Number: MFCD00055487
• Beilstein Number: 2219515
• PubChem SID: 24868559; 24899267; 162221729
• PubChem CID: 8292
• Chemspider ID: 7991
• Wikipedia Title: Fensulfothion

CALCULATED PROPERTIES

• Acid pKa: 19.381254
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1086369
• LogD (pH = 7.4): 2.1086369
• Log P: 2.1086369
• Molar Refractivity: 79.7261 cm^3
• Polarizability: 31.889328 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Brown liquid or yellow oil

Safety Information

• RTECS: TF3850000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 26/27/28-50/53
• Safety Statements: 23-28-36/37-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300 +H310 + H330-H410
• GHS Precautionary statements: 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 2810 6.1/PG 1
• Storage Temperature: 2-8°C

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 100 mg
• Empirical Formula (Hill Notation): C11H17O4PS2

DETAILS

Sigma Aldrich - 45307

Legal Information
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