Basic information
- CAS
1024-34-6- Standard SMILES
CCCCOP(=O)(OCCCC)c1ccccc1- InChIKey
YBBHHAFADNTQHQ-UHFFFAOYSA-N- Molecular formula
- C14H23O3P
- Average molar mass
- 270.3 g/mol
- Monoisotopic mass
- 270.13848123
Names & identifiers
- Preferred name
- Dibutyl phenylphosphonate
- IUPAC
- dibutoxyphosphorylbenzene
- English name
- Phenylphosphonic acid dibutyl ester
- Molecular formula
- C14H23O3P
- Molecular weight
- 270.3
Names & synonyms
Dibutyl phenylphosphonate1024-34-6Dibutyl P-phenylphosphonateDTXSID70145038RefChem:586528DTXCID8067529Phosphonic acid, phenyl, dibutyl esterdibutoxyphosphorylbenzeneDibutoxyphenylphosphine oxidePhosphonic acid, phenyl-, dibutyl esterPhenylphosphonic acid dibutyl esterNSC 62230
Show more names
Di-n-butyl phenylphosphonatePhosphonic acid, P-phenyl-, dibutyl ester
BRN 2942181QQ6GGE47DK4-16-00-01069 (Beilstein Handbook Reference)phenyl-phosphonic acid dibutyl esterMFCD00769285NSC-62230NSC616244UNII-QQ6GGE47DK
Database identifiers
- CAS
1024-34-6- PubChem CID
- 70559
- DTXSID
DTXSID70145038- UNII
- QQ6GGE47DK
- Nikkaji
- J34.635G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 235
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organophosphates, Other
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Boiling point
- 166 °C · 166 °C(Press: 4 Torr)
- Density
- 1.041 · 1.0410 (rough estimate)
- refractive index
- 1.482 · 1.4820 (estimate)
- Water Solubility
- 0.2 g/L · <0.2g/L(25 ºC)
- FDA UNII
- 6 GGE47DK · QQ6GGE47DK
Safety & regulation
Hazard information
Hazards SummaryCauses somnolence in oral lethal-dose studies of mice; [RTECS] See Dibutyl butylphosphonate and Dioctyl phenylphosphonate.
Chemistry & industry
Suppliers4 total
上海仲因实业有限公司2537653158 16621191650 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
Related reactions
1 records
Compound notes
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