Basic information
- CAS
1145-93-3- Standard SMILES
CCOOP(Cc1ccc(OC)cc1)OCC- InChIKey
XTASVOIVNCSQLW-UHFFFAOYSA-N- Molecular formula
- C12H19O4P
- Average molar mass
- 258.25 g/mol
- Monoisotopic mass
- 258.10209608
Names & identifiers
- Preferred name
- Einecs 214-548-5
- IUPAC
- ethoxy-ethylperoxy-[(4-methoxyphenyl)methyl]phosphane
- English name
- Diethyl 4-methoxybenzylphosphonate
- Molecular formula
- C12H19O4P
- Molecular weight
- 258.25
Names & synonyms
EINECS 214-548-5D90244Diethyl anisylphosphonateDiethyl 4-methoxybenzylphosphote4-(Diethylphosphonomethyl)anisoleDiethyl 4-methoxybenzylphosphonateDiethyl(4-Methoxybenzyl)phosphonate>Diethyl(4-methoxybenzyl)phosphonate, 98 %4-Methoxybenzylphosphonic acid diethyl ester1-(diethoxyphosphorylmethyl)-4-methoxybenzene(p-Methoxybenzyl)phosphonic acid diethyl esterDiethyl P-[(4-methoxyphenyl)methyl]phosphonate
Database identifiers
- CAS
1145-93-3- PubChem CID
- 70843
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 155 °C0.5 · 155 °C0.5 mm Hg(lit.)
- Density
- 1.5 g/mL · 1.5 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.504(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Store at room temperature
- form
- clear liquid
- color
- Colorless to Light yellow
- Water Solubility
- Not miscible in water.
- BRN
- 2125148 · 2125148
- CAS DataBase Reference
- 1145 · 1145-93-3(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314-H227
- Precautionary statements
- 501 · P501-P270-P210-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
- Hazard Codes
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
- wgk
- 3
- hs_code
- 2931499090
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H314-H227
- Precautionary statements
- P501-P270-P210-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Chemistry & industry
Applications
UsesDiethyl 4-methoxybenzylphosphonate is used in synthesis of C-aryl glycosides. It acts as a reactant for synthesis of γ -Monofluorinated goniothalamin analogs via ring-opening hydrofluorination, stilbenoid derivatives with neuroprotective activity, resveratrol-chroman hybrids with antioxidant activity, Oligostilbenoids using regioselective cyclodehydration and arylation.
Suppliers73 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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