Basic information
- CAS
3277-27-8- Standard SMILES
CCOP(=O)(OCC)C(=O)c1ccccc1- InChIKey
TZAMQIAPGYOUKF-UHFFFAOYSA-N- Molecular formula
- C11H15O4P
- Average molar mass
- 242.21 g/mol
- Monoisotopic mass
- 242.07079559
Names & identifiers
- Preferred name
- Diethyl benzoylphosphonate
- IUPAC
- diethoxyphosphoryl(phenyl)methanone
- English name
- Diethyl(phenyloxomethyl)phosphonate
- Molecular formula
- C11H15O4P
- Molecular weight
- 242.21
Names & synonyms
Diethyl benzoylphosphonate3277-27-8diethoxyphosphoryl(phenyl)methanoneDiethyl(phenyloxomethyl)phosphonateMFCD00015137benzoylphosphonic acid diethyl esterBenzoyl-phosphonic acid diethyl esterNSC2669AURORA KA-1431CBDivE_001790SCHEMBL425583Diethyl benzoylphosphonate 97%
Show more names
iethoxyphosphoryl(phenyl)methanone
Diethyl benzoylphosphonate, 97%DTXSID30277506diethyl (phenylcarbonyl)phosphonateNSC-2669STK204919AKOS003600042Diethyl(phenyloxomethyl)phosphonate, 98 %Phosphonic acid, P-benzoyl-, diethyl ester
Database identifiers
- CAS
3277-27-8- PubChem CID
- 220226
- DTXSID
DTXSID30277506- Nikkaji
- J308.155I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Boiling point
- 186 °C · 186 °C (lit.)
- Density
- 1.156 g/mL · 1.156 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.508(lit.)
- Flash point
- 230 °F · >230 °F
- InChI
- 1S/C11H15O4P/c1-3-14-16(13,15-4-2)11(12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
- InChIKey
- TZAMQIAPGYOUKF-UHFFFAOYSA-N
- SMILES
- CCOP(=O)(OCC)C(=O)c1ccccc1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- Eyeshields, Gloves
- WGK Germany
- 3 · 3
- HS Code
- 2931499090 · 2931499090
- Storage Class
- 10 · 10 - Combustible liquids
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
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2931499090
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
UsesDiethyl Benzoylphosphonate acts as a reagent in the synthesis of aryl phosphonates and their antifungal activities.
Suppliers21 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
云南苏理生物医药科技有限公司0871-68355600 18787766125
上海仲因实业有限公司2537653158 16621191650 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
北京天净沙基因科技有限公司19852949191 19852949191 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
Related reactions
4 records
Compound notes
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