Dibutyl P-(phenylmethyl)phosphonate
Basic information
- CAS
3762-27-4- Standard SMILES
CCCCOP(=O)(Cc1ccccc1)OCCCC- InChIKey
ARIYRPOBFJRCEU-UHFFFAOYSA-N- Molecular formula
- C15H25O3P
- Average molar mass
- 284.33 g/mol
- Monoisotopic mass
- 284.15413165
Names & identifiers
- Preferred name
- Dibutyl P-(phenylmethyl)phosphonate
- IUPAC
- dibutoxyphosphorylmethylbenzene
- English name
- Benzylphosphonic acid dibutyl ester
- Molecular weight
- 0
Names & synonyms
3762-27-4Phosphonic acid, benzyl-, dibutyl esterDibutyl P-(phenylmethyl)phosphonateDTXSID90191057RefChem:1083394DTXCID00113548Benzylphosphonic acid dibutyl esterDi-n-butyl benzylphosphonatedibutoxyphosphorylmethylbenzeneDibutyl benzylphosphonateBRN 2944422Phosphonic acid, (phenylmethyl)-, dibutyl ester
Show more names
dibutyl benzylphosphonodiperoxoate
3-16-00-00889 (Beilstein Handbook Reference)SCHEMBL5550099SCHEMBL6769527ARIYRPOBFJRCEU-UHFFFAOYSA-NBDBM361626US20260015372, Compound 91SR-01000196022SR-01000196022-1
Database identifiers
- CAS
3762-27-4- PubChem CID
- 123200
- DTXSID
DTXSID90191057- Nikkaji
- J79.853C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- CAS DataBase Reference
- 3762 · 3762-27-4
- Toxicity
- 50 ivn-mus: · LD50 ivn-mus: 56 mg/kg CSLNX* NX#05783
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
- Toxicity
- LD50 ivn-mus: 56 mg/kg CSLNX* NX#05783
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Related reactions
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Compound notes
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