Phosphonothioic acid, methyl-, O-ethyl O-(4-(methylthio)phenyl) ester
Basic information
- CAS
2703-13-1- Standard SMILES
CCOP(C)(=S)Oc1ccc(SC)cc1- InChIKey
LUCDVNXIIQYRLZ-UHFFFAOYSA-N- Molecular formula
- C10H15O2PS2
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.02510906
Overview
Phosphonothioic acid, methyl-, o-ethyl o-(4-(methylthio)phenyl) ester is a liquid. (EPA, 1998)
Names & identifiers
- Preferred name
- Phosphonothioic acid, methyl-, O-ethyl O-(4-(methylthio)phenyl) ester
- IUPAC
- ethoxy-methyl-(4-methylsulfanylphenoxy)-sulfanylidene-λ5-phosphane
- English name
- ethoxy-methyl-(4-methylsulfanylphenoxy)-sulfanylidene-phosphorane
- Molecular formula
- C10H15O2PS2
- Molecular weight
- 262.33
Names & synonyms
2703-13-1BAY 29952ENT 25,612Bayer 29952HSDB 642948ZVC11JGJO-Ethyl O-(p-(methylthio)phenyl) methylphosphonothioatePHOSPHONOTHIOIC ACID, METHYL-, O-ETHYL O-(4-(METHYLTHIO)PHENYL) ESTERBRN 2216370AI3-25612DTXSID0042240BAYER 29,952
Show more names
Phenyl Acetate Impurity 36ethoxy-methyl-(4-methylsulfanylphenoxy)-sulfanylidene-phosphoraneMethylphosphonothioic acid-O-ethyl O-(4-(methylthio)phenyl) ester.O-ETHYL O-(4-(METHYLTHIO)PHENYL) ESTER METHYL-PHOSPHONOTHIOIC ACID)Phosphonothioic acid, methyl-, O-ethyl O-[4-(methylthio)phenyl] ester (9CI)
Phosphonothioic acid, methyl-, O-ethyl O-(p-(methylthio)phenyl) esterENT-25612ETHYL O-(4-(METHYLTHIO)PHENYL) METHYLPHOSPHONOTHIOATE, O-Phosphonothioic acid, methyl-, O-ethyl O-[4-(methylthio)phenyl] esterPHOSPHONOTHIOIC ACID, METHYL-, O-ETHYL O-(4-(METHYLTHIO)PHENYL) ESTER [HSDB]O-ETHYL O-(4-(METHYLTHIO)PHENYL) METHYLPHOSPHONOTHIOATEO-ETHYL O-[4-(METHYLTHIO)PHENYL] METHYLPHOSPHONOTHIOATEPHOSPHONOTHIOIC ACID, METHYL-, O-ETHYL O-[P-(METHYLTHIO)PHENYL] ESTER
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
PesticidesPesticides -> Organophosphate Insecticides
Boiling Point298 °C @760 [mm Hg]
Vapor Pressure0.0001 [mm Hg] @25 °C
Physical Description
Phosphonothioic acid, methyl-, o-ethyl o-(4-(methylthio)phenyl) ester is a liquid. (EPA, 1998)
Liquid; [CAMEO]
Physicochemical properties
- Boiling point
- 334.2 · 334.2±44.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- FDA UNII
- 48 ZVC11JGJ · 48ZVC11JGJ
- EPA Substance Registry System
- O-Ethyl O-(p-(methylthio)phenyl) methylphosphonothioate (2703-13-1)
- RIDADR
- 3018 · 3018
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- II
- Hazardous Substances Data
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
Health HazardsExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
Hazards Summary
A cholinesterase inhibitor; [CAMEO] The average of two baseline respective cholinesterase activity determinations three days apart, with no exposures to enzyme inhibiting pesticides for at least 30 days, is recommended for each worker prior to exposure to cholinesterase inhibitors because of large inter-individual differences in published baseline values. To be established at least once a year. Removal from workplace exposures is recommended until the cholinesterase activity returns to within 20% of baseline. [TLVs and BEIs]
Reactive GroupSulfides, Organic
Special Reports
USEPA; Chemical Profile: Phosphonothioic acid, methyl-, O-ethyl O-(4-methylthio)phenyl) ester (1985)
WHO; Diseases Caused by Phosphorus and Its Toxic Compounds; Early Detection of Occupational Diseases pg 53-62 (1986). Review of diseases and health related effects resulting from exposure to phosphorus or phosphorus cmpd.
Reactivity Profile
PHOSPHONOTHIOIC ACID, METHYL-, O-ETHYL O-(4-(METHYLTHIO)PHENYL) ESTER may react with strong reducing agents such as hydrides to give highly toxic and flammable phosphine gas. Partial oxidation by oxidizing agents may result in the release of toxic phosphorus oxides.
Chemistry & industry
Pharmacology
Absorption, Distribution and ExcretionMost organophosphate compounds are ... absorbed from skin, conjunctiva, gastrointestinal tract, & lung. /Organophosphate compounds/
Uses & manufacturing
Uses
Used as broad spectrum insecticide; [NJ-HSFS]
Farming (Pesticides) [Category: Industry]
Applications
General DescriptionLiquid.
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Related reactions
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Compound notes
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