HuagongsheHuagongshe Chemistry Print Report · For research reference only
Dimethyl (2-oxopropyl)phosphonate
DIMETHYL (2-OXOPROPYL)PHOSPHONATE · 1-Dimethoxyphosphorylpropan-2-one · DIMETHYL ACE · LABOTEST-BB LT00847718 · Dimethyl(2-oxopropyl)phosph · DIMETHYL ACETONYLPHOSPHONATE · Dimethyl acetylmethylphosphote · DIMETHYL ACETYLMETHYLPHOSPHONATE
Identifiers & Physical Properties
| CAS No. | 4202-14-6 |
|---|---|
| Molecular formula | C5H11O4P |
| Average molar mass | 166.11 g/mol |
| Monoisotopic mass | 166.03949546 g/mol |
| SMILES | COP(=O)(CC(C)=O)OC |
| InChIKey | UOWIYNWMROWVDG-UHFFFAOYSA-N |
| PubChem CID | 77872 |
| EC No. | 224-110-5 |
| DTXSID | DTXSID90194846 |
Chemical & Physical Properties
| XLogP | 0.9 |
|---|---|
| Topological polar surface area | 52.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 157 |
| Chemical classes | Other Classes -> Organophosphates, Other |
| LogP (partition coefficient) | 0.86 |
| Vapor pressure | 0.07 [mmHg] |
| Physical Description | Clear light yellow liquid[Sigma-Aldrich MSDS] |
| Boiling point | 76-79 °C3 mm Hg(lit.) |
| Density | 1.202 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.439(lit.) |
| Flash point | 200 °F |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | Difficult to mix. |
| Physical state | Liquid |
| Color | Clear colorless to light brown |
| BRN | 1766218 |
| InChI | InChI=1S/C5H11O4P/c1-5(6)4-10(7,8-2)9-3/h4H2,1-3H3 |
| InChIKey | UOWIYNWMROWVDG-UHFFFAOYSA-N |
| SMILES | P(CC(=O)C)(=O)(OC)OC |
| CAS DataBase Reference | 4202-14-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Dimethyl (2-oxopropyl)phosphonate(4202-14-6) |
| UNSPSC Code | 12352108 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H227 |
| GHS precautionary statements | P210e-P280a-P370+P378a-P501a-P210-P280-P403+P235-P501 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, multi-purpose combination respirator cartridge (US) |
| Hazard symbols | Xi |
| Safety statements (S) | 23-24/25 |
| Water hazard class (WGK) | 3 |
| F | 10 |
| Hazard Note | Irritant |
| Customs code | 29310095 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | WarningH302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazards summary | May cause irritation[Sigma-Aldrich MSDS] See Dimethyl methylphosphonate, Diisopropyl methylphosphonate, and Diethyl ethylphosphonate. |
| Hazard Classes and Categories | Acute Tox. 4 (75%) |
| F | 10 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, multi-purpose combination respirator cartridge (US) |
| Water hazard class (WGK) | 3 |
| Customs code | 29310095 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 23-24/25 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H227 |
| GHS precautionary statements | P210e-P280a-P370+P378a-P501a-P210-P280-P403+P235-P501 |
Applications & Uses
Uses
Dimethyl acetylmethylphosphonate is a Reagent used together with tosyl azide in a one-pot alkynylation of aldehydes.