Trimethylphosphonoacetat
Trimethyl phosphonoacetate
Grundinformationen
- CAS
5927-18-4- Standard-SMILES
COC(=O)CP(=O)(OC)OC- InChIKey
SIGOIUCRXKUEIG-UHFFFAOYSA-N- Summenformel
- C5H11O5P
- Durchschnittliche Molmasse
- 182,11 g/mol
- Monoisotopische Masse
- 182,03441008
Überblick
Trimethyl phosphonoacetate is a phosphonic ester.
Namen und Bezeichner
- Bevorzugter Name
- Trimethyl phosphonoacetate
- IUPAC
- methyl 2-dimethoxyphosphorylacetate
- Lokaler Name
- Trimethylphosphonoacetat
- Englischer Name
- Trimethyl phosphonoacetate
- Summenformel
- C5H11O5P
- Molmasse
- 182.11
Namen und Synonyme
Trimethyl phosphonoacetate5927-18-4methyl 2-dimethoxyphosphorylacetateTrimethylacetyl phosphateAcetic acid, (dimethoxyphosphinyl)-, methyl esterDTXSID3064063RefChem:899798DTXCID5042588227-663-0Methyl 2-(dimethoxyphosphoryl)acetateTrimethyl phosphonacetateMFCD00008452
Weitere Namen anzeigen
TMPANSC 84262TriMethyl phosphonoacetatTRIMETHYL PHOPHONOACETATETrimethylphosphoroacetateRIMETHYL PHOSPHONOACETATE
C5H11O5PPhosphonoacetic Acid Trimethyl EsterDimethylphosphonoacetic Acid Methyl EsterMethyl DimethylphosphonoacetateMethyl (dimethoxyphosphoryl)acetate(Carboxymethyl)phosphonic acid trimethyl estermethyl-(dimethoxyphosphoryl)acetatEINECS 227-663-0
Datenbank-Bezeichner
- CAS
5927-18-4- PubChem CID
- 80029
- DTXSID
DTXSID3064063- ChEBI
CHEBI:195100- EC Number
- 227-663-0
- Nikkaji
- J227E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,6
- Polarare Oberfläche (TPSA)
- 61,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 170
Physikochemische Eigenschaften
- Schmelzpunkt
- 242 °C · 242 °C
- Siedepunkt
- 118 °C0.85 · 118 °C0.85 mm Hg(lit.)
- Dichte
- 1.125 g/mL · 1.125 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.437(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- Liquid
- Wichte
- 1.265 · approximate 1.265ｇ/ml (20℃)
- Farbe
- Clear colorless to light yellow
- Wasserlöslichkeit
- Slightly miscible with water.
- BRN
- 1865177 · 1865177
- InChI
- 1S/C5H11O5P/c1-8-5(6)4-11(7,9-2)10-3/h4H2,1-3H3
- InChIKey
- SIGOIUCRXKUEIG-UHFFFAOYSA-N
- SMILES
- COC(=O)CP(=O)(OC)OC
- LogP
- -0.68 · -0.680 (est)
- CAS Datenbank
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 87.5% (56 of 64) of all reports.
Warning
H315 (12.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 64 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 28-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10683
Acetic acid, (dimethoxyphosphinyl)-, methyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (12.5%)
Sicherheitsdaten
- F
- 9
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29310095
- safety_code
- 23-24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationAcetic acid, 2-(dimethoxyphosphinyl)-, methyl ester: ACTIVE
Anwendungen
VerwendenTrimethyl phosphonoacetate is used in the preparation of sarin A by intramolecular Mannich-type reactions. It is involved in the Horner-Wadsworth-Emmons olefination with aldehydes and ketones to give acrylic esters. It is also involved in oxa-Michael reactions, prenylation of oxindoles and heterocyclization reactions.
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