Basic information
- CAS
7396-44-3- Standard SMILES
CCOP(=O)(CC(=O)OCc1ccccc1)OCC- InChIKey
OTRQFHJPBPUOES-UHFFFAOYSA-N- Molecular formula
- C13H19O5P
- Average molar mass
- 286.26 g/mol
- Monoisotopic mass
- 286.09701034
Names & identifiers
- Preferred name
- Benzyl (diethoxyphosphoryl)acetate
- IUPAC
- benzyl 2-diethoxyphosphorylacetate
- English name
- Diethyl (benzyloxycarbonylmethyl)phosphonate, 98 %
- Molecular formula
- C13H19O5P
- Molecular weight
- 286.26
Names & synonyms
7396-44-3benzyl (diethoxyphosphoryl)acetateDTXSID00299957RefChem:1079413DTXCID20251092Benzyl 2-(diethoxyphosphoryl)acetatebenzyl 2-diethoxyphosphorylacetatediethyl (benzyloxycarbonylmethyl)phosphonateMFCD09263511C13H19O5PSCHEMBL5849992Acetic acid, (diethoxyphosphinyl)-, phenylmethyl ester
Show more names
NSC 133869Benzyl diethyl phosphonoacetatePhenylmethyl 2-(diethoxyphosphinyl)acetateDiethyl (benzyloxycarbonylmethyl)phosphonatdiethyl [2-(benzyloxy)-2-oxoethyl]phosphonate(Diethoxyphosphinyl)acetic acid phenylmethyl esterDiethyl (benzyloxycarbonylmethyl)phosphonate, 98 %Diethyl (benzyloxycarbonylmethyl)phosphonate USP/EP/BP
Acetic acid, 2-(diethoxyphosphinyl)-, phenylmethyl ester(Diethoxy-phosphoryl)-acetic acid benzyl esterdiethyl (benzylNSC133869(Diethoxy-phosphoryl)acetic acid benzyl esterbenzyl diethylphosphonoacetateBenzyl2-(diethoxyphosphoryl)acetateXH1080
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 386.9 · 386.9±25.0 °C(Predicted)
- Density
- 1.167 · 1.167
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers55 total
Suzhou Yuanrui Bio-Tech Co., Ltd+86-18106132862 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司
Related reactions
3 records
Compound notes
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