Propan-2-yl 2-({ethoxy[(propan-2-yl)amino]phosphoryl}oxy)benzoate
Basic information
- CAS
31120-85-1- Standard SMILES
CCOP(=O)(NC(C)C)Oc1ccccc1C(=O)OC(C)C- InChIKey
DZUPKTNAUCDVTL-UHFFFAOYSA-N- Molecular formula
- C15H24NO5P
- Average molar mass
- 329.33 g/mol
- Monoisotopic mass
- 329.13920986
Names & identifiers
- Preferred name
- Propan-2-yl 2-({ethoxy[(propan-2-yl)amino]phosphoryl}oxy)benzoate
- IUPAC
- propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphoryl]oxybenzoate
- English name
- ISOFENPHOS-OXON
- Molecular formula
- C15H24NO5P
- Molecular weight
- 329.33
Names & synonyms
DTXSID50865585propan-2-yl 2-({ethoxy[(propan-2-yl)amino]phosphoryl}oxy)benzoatepropan-2-yl 2-((ethoxy((propan-2-yl)amino)phosphoryl)oxy)benzoateRefChem:868668DTXCID10813981694-894-5ISOFENPHOS OXON31120-85-1ISOFENPHOS-OXONOxyisofenphospropan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphoryl]oxybenzoateBenzoic acid, 2-((ethoxy((1-methylethyl)amino)phosphinyl)oxy)-, 1-methylethyl ester
Show more names
ISOFENPHOS-O-ANALOGUEBexarotene Impurity 16ISOFENPHOS OXON STANDARDIsofenphos-oxon in AcetoneIsofenphos-oxon Solution, 100ppmIsofenphos-oxon 100 μg/mL in AcetoneIsofenphos-oxon 10 μg/ml AcetonitrileIsofenphos-oxon 100 μg/ml AcetonitrileIsofenphos-oxon 100 μg/mL in Acetonitrile
CCRIS 7778Benzoic acid, 2-[[ethoxy[(1-methylethyl)amino]phosphinyl]oxy]-, 1-methylethyl esterU46EWA4HENSCHEMBL7157665DZUPKTNAUCDVTL-UHFFFAOYSA-NMSK20073Isofenphos-oxon 100 |Ig/mL in AcetoneIsofenphos-oxon 1000 |Ig/mL in Acetone
Database identifiers
- CAS
31120-85-1- PubChem CID
- 35736
- DTXSID
DTXSID50865585- UNII
- U46EWA4HEN
- EC Number
- 694-894-5
- Nikkaji
- J584.334K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Melting point
- 36 · 36~40℃
- Boiling point
- 402.5 · 402.5±47.0 °C(Predicted)
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- storage temp.
- 0 · 0-6°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil to Low-Melting Solid
- pka
- -0.3 · -0.30±0.70(Predicted)
- color
- Colourless to White
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H330
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P361-P363-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
- RIDADR
- 3018 · 3018
- 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.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- ridadr
- 3018
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- 6.1(a)
- packing_group
- II
- Hazard statements
- H301-H311-H330
- Precautionary statements
- P280-P302+P352-P312-P322-P361-P363-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
UsesOxyisofenphos is a stable degredation product of Isofenphos, a soil insecticide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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