Phosphonothioic acid, phenyl-, O-(2,4-dichlorophenyl) O-ethyl ester
Basic information
- CAS
3792-59-4- Standard SMILES
CCOP(=S)(Oc1ccc(Cl)cc1Cl)c1ccccc1- InChIKey
PNAAEIYEUKNTMO-UHFFFAOYSA-N- Molecular formula
- C14H13Cl2O2PS
- Average molar mass
- 347.2 g/mol
- Monoisotopic mass
- 345.9750932
Overview
S-Seven is a dichlorobenzene.
Names & identifiers
- Preferred name
- Phosphonothioic acid, phenyl-, O-(2,4-dichlorophenyl) O-ethyl ester
- IUPAC
- (2,4-dichlorophenoxy)-ethoxy-phenyl-sulfanylidene-λ5-phosphane
- English name
- EPBP
- Molecular formula
- C14H13Cl2O2PS
- Molecular weight
- 347.2
Names & synonyms
BRN 2948113O-Ethyl-O-(2,4-dichlorophenyl)-phosphonothionateO-2,4-Dichlorfenyl-O-ethylester kyseliny fenylthiofosfonove [Czech]Phosphonothioic acid, phenyl-, O-(2,4-dichlorophenyl) O-ethyl esterO-2,4-Dichlorfenyl-O-ethylester kyseliny fenylthiofosfonoveRefChem:862354O-(2,4-Dichlorophenyl) O-ethyl phenylphosphonothioate (8CI)O-(2,4-Dichlorophenyl) O-ethyl phenylphosphonothioate (8CI)(9CI)S-SevenEPBP3792-59-4O-Ethyl O-2,4-dichlorophenyl thionobenzenephosphonate
Show more names
O-(2,4-DICHLOROPHENYL)O-ETHYLPHENYLPHOSPHONOTHIOATEO-(2,4-Dichlorophenyl)-O-ethylthionobenzenephosphonatePhenylthiophosphonic acid O-ethyl O-(2,4-dichlorophenyl)Phenylthiophosphonic acid O-ethyl-O-(2,4-dichlorophenyl) esterPhenylthiophosphonic acid O-ethyl O-(2,4-dichlorophenyl) esterPhenylphosphonothioic acid O-ethyl O-(2,4-dichlorophenyl) esterPhosphonothioic acid, P-phenyl-, O-(2,4-dichlorophenyl) O-ethyl ester
O-(2,4-Dichlorophenyl) O-ethyl phenylphosphonothioateSCHEMBL4238437(2,4-dichlorophenoxy)ethoxyphenyl-sulfanylidene-phosphaneDTXSID7042221SCHEMBL29354855CHEBI:82268PNAAEIYEUKNTMO-UHFFFAOYSA-NNS00124416
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Boiling point
- 415.6 · 415.6±55.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- EPA Substance Registry System
- O-(2,4-Dichlorophenyl) O-ethyl phenylphosphonothioate (3792-59-4)
- RIDADR
- 3018 · 3018
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and CategoriesAcute toxicity (Oral) - Category 3
Safety data
- ridadr
- 3018
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Additional notes
DefinitionChEBI: S-Seven is a dichlorobenzene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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