diethyl {[2-(ethylsulfanyl)ethyl]sulfanyl}(sulfanylidene)phosphonite

• ChemBase ID: 127156
• Molecular Formular: C8H19O2PS3
• Molecular Mass: 274.404021
• Monoisotopic Mass: 274.02847948
• SMILES: S=P(OCC)(SCCSCC)OCC
• Canonical SMILES: CCSCCSP(=S)(OCC)OCC
• InChI: InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
• InChIKey: DOFZAZXDOSGAJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl {[2-(ethylsulfanyl)ethyl]sulfanyl}(sulfanylidene)phosphonite
• IUPAC Traditional name: frumin
• Synonyms: Disulfoton; Disulfoton; 乙拌磷

Database IDs

• CAS Number: 298-04-4
• EC Number: 206-054-3
• MDL Number: MFCD00036234
• Beilstein Number: 1709167
• PubChem SID: 24868939; 24867914; 24899260; 162221478
• PubChem CID: 3118
• CHEBI ID: 38661
• Chemspider ID: 3006
• KEGG ID: C18400
• Unique Ingredient Identifier: 3CY5EKL6MT
• Wikipedia Title: Disulfoton

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0289056
• LogD (pH = 7.4): 3.0289056
• Log P: 3.0289056
• Molar Refractivity: 74.1199 cm^3
• Polarizability: 29.697912 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 133 °C; 271.4 °F

Safety Information

• RTECS: TD9275000
• 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: 27/28-50/53
• Safety Statements: 28-36/37-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• Main Hazard: Toxic
• GHS Hazard statements: H300 + H310-H410; H300-H310-H410
• GHS Precautionary statements: P264-P273-P280-P301 + P310-P302 + P350-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; ampule of 1000 mg
• Empirical Formula (Hill Notation): C8H19O2PS3

DETAILS

Sigma Aldrich - 45460

Legal Information
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