Coumaphos oxon
Basic information
- CAS
321-54-0- Standard SMILES
CCOP(=O)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1- InChIKey
FDYMERLIFOUIRZ-UHFFFAOYSA-N- Molecular formula
- C14H16ClO6P
- Average molar mass
- 346.7 g/mol
- Monoisotopic mass
- 346.03730254
Overview
Coumaphos oxon is an organic molecular entity. It has a role as an insecticide and an EC 3.1.1.8 (cholinesterase) inhibitor.
Names & identifiers
- Preferred name
- Coumaphos oxon
- IUPAC
- (3-chloro-4-methyl-2-oxochromen-7-yl) diethyl phosphate
- English name
- COUMAPHOS-OXON
- Molecular formula
- C14H16ClO6P
- Molecular weight
- 346.7
Names & synonyms
Coroxon321-54-0Coumaphos oxonFS49K9Q80BDTXSID10375133-chloro-7-hydroxy-4-methylcoumarin diethyl phosphateRefChem:128062DTXCID9017513206-288-6Coumaphos-oxon3-Chloro-4-methyl-7-coumarinyl diethyl phosphate(3-chloro-4-methyl-2-oxochromen-7-yl) diethyl phosphate
Show more names
COUMAPHOS-O-ANALOGCOUMAPHOS-O-ANALOGUEC11731000 Coumaphos-oxonCoumaphos-oxon Solution, 100ppmCoumaphos-oxon 10.0 μg/ml Cyclohexanediethyl3-chloro-4-methyl-7-coumarinylphosphate3-chloro-4-methyl-7-coumarinyldiethylphosphate
3-Chloro-4-methyl-2-oxo-2H-chromen-7-yl diethyl phosphateDiethyl 3-chloro-4-methyl-7-coumarinyl phosphateO,O-Diethyl O-(3-chloro-4-methylcoumarin-7-yl) phosphateCoralox3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl diethyl phosphateO,O-Di(2-chloroethyl)-7-(3-chloro-4-methylcoumarinyl)phosphatePhosphoric acid, diethyl ester, ester with 3-chloro-7-hydroxy-4-methylcoumarinMFCD00872027
Database identifiers
- CAS
321-54-0- PubChem CID
- 9453
- DTXSID
DTXSID1037513- ChEMBL
CHEMBL1891727- ChEBI
CHEBI:234570- UNII
- FS49K9Q80B
- EC Number
- 206-288-6
- Nikkaji
- J5.668E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 496
Physicochemical properties
- Boiling point
- 226.5 °C · 226.5°C
- FDA UNII
- 49 K9Q80B · FS49K9Q80B
- EPA Substance Registry System
- Coumaphos O-analog (321-54-0)
- RIDADR
- 2783 · 2783
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- II
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 2783
- hazard_class
- 6.1(a)
- packing_group
- II
Suppliers
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Related reactions
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Compound notes
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