Dibutyl [(diethylamino)carbonyl]phosphonate
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Basic information
- CAS
7439-69-2- Standard SMILES
CCCCOP(=O)(OCCCC)C(=O)N(CC)CC- InChIKey
VIZPJAFCJKGFQB-UHFFFAOYSA-N- Molecular formula
- C13H28NO4P
- Average molar mass
- 293.34 g/mol
- Monoisotopic mass
- 293.17559537
Names & identifiers
- Preferred name
- Dibutyl [(diethylamino)carbonyl]phosphonate
- IUPAC
- 1-dibutoxyphosphoryl-N,N-diethylformamide
- English name
- DI-N-BUTYL N,N-DIETHYLCARBAMOYLPHOSPHONATE
- Molecular formula
- C13H28NO4P
- Molecular weight
- 293.34
Names & synonyms
Dibutyl ((diethylamino)carbonyl)phosphonateEINECS 231-094-3DTXSID30225380NSC 203038Dibutyl [(diethylamino)carbonyl]phosphonateRefChem:586504DTXCID30147871DinbutylN,Ndiethylcarbamoylphosphonate231-094-37439-69-2Di-n-Butyl N,N-Diethylcarbamoylphosphonate1-dibutoxyphosphoryl-N,N-diethylformamide
Show more names
Dibutyl-N,N-diethylcarbomoyl phosphonateLABOTEST-BB LT00455157dibutyldiethylcarbamylphosphonatedi-n-butyln,n-diethylcarbamylphosphateDIBUTYL N,N-DIETHYLCARBAMOYLPHOSPHONATEDIBUTYL N,N'-DIETHYLCARBAMOYLPHOSPHONATEDI-N-BUTYL N,N-DIETHYLCARBAMYLPHOSPHONATE
DIBUTYL DIETHYLCARBAMOYLPHOSPHONATEdibutyl (diethylcarbamoyl)phosphonateNSC-203038(dibutoxycarbonyl)-N,N-diethylcarboxamideC13H28NO4Pstarbld0016588SCHEMBL1305970ZLY37K223J
Database identifiers
- CAS
7439-69-2- PubChem CID
- 81944
- DTXSID
DTXSID30225380- UNII
- ZLY37K223J
- EC Number
- 231-094-3
- Nikkaji
- J208.375B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 278
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organophosphates, Other
SpringerMaterials PropertiesDensity
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 132 · 132-134°C 1mm
- refractive index
- 1.452 · 1.4520
- Flash point
- 132 · 132-134°C/1mm
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Colorless to light yellow Liquid
- BRN
- 1796281 · 1796281
- CAS DataBase Reference
- 7439 · 7439-69-2(CAS DataBase Reference)
- FDA UNII
- 37 K223J · ZLY37K223J
- Symbol(GHS)
- 7 · GHS07
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
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Diethyl ((diethanolamino)methyl)phosphonate.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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