Diethyl (isocyanomethyl)phosphonate
Grundinformationen
- CAS
41003-94-5- Standard-SMILES
[C-]#[N+]CP(=O)(OCC)OCC- InChIKey
ICURVXBGGDVHDT-UHFFFAOYSA-N- Summenformel
- C6H12NO3P
- Durchschnittliche Molmasse
- 177,14 g/mol
- Monoisotopische Masse
- 177,05547987
Namen und Bezeichner
- Bevorzugter Name
- Diethyl (isocyanomethyl)phosphonate
- IUPAC
- 1-[ethoxy(isocyanomethyl)phosphoryl]oxyethane
- Englischer Name
- DIETHYL ISOCYANOMETHYLPHOSPHONATE
- Summenformel
- C6H12NO3P
- Molmasse
- 177.14
Namen und Synonyme
diethyl (isocyanomethyl)phosphonateRefChem:587031627-228-9Diethyl isocyanomethylphosphonate41003-94-51-[ethoxy(isocyanomethyl)phosphoryl]oxyethaneMFCD00042951DIETHylisoCYANOMETHYLPHOSPHONATESCHEMBL970388(diethoxycarbonyl)methanisocyanidediethyl(isocyanomethyl)phosphonateDTXSID80370450
Weitere Namen anzeigen
Diethyl (isocyanomethyl)DiethyleisocyanomethylphosphonateDiethoxyphosphinylmethyl isocyanideDiethyl P-(isocyanomethyl)phosphonateDiethyl isocyanomethylphosphonate 97%Diethyl isocyanomethylphosphonate,97%[(Diethoxyphosphinyl)methyl] isocyanideISOCYANOMETHYL-PHOSPHONIC ACID DIETHYL ESTER
ICURVXBGGDVHDT-UHFFFAOYSA-NAKOS015913059AKOS024370872GS-0351FD181605SY129334DB-254445ST51006828
Datenbank-Bezeichner
- CAS
41003-94-5
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0
- Polarare Oberfläche (TPSA)
- 39,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 185
Physikochemische Eigenschaften
- Siedepunkt
- 84 · 84-87 °C0.1 mm Hg(lit.)
- Dichte
- 1.105 g/mL · 1.105 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.433(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to yellow
- BRN
- 4674920 · 4674920
- InChI
- 1S/C6H12NO3P/c1-4-9-11(8,6-7-3)10-5-2/h4-6H2,1-2H3
- InChIKey
- ICURVXBGGDVHDT-UHFFFAOYSA-N
- SMILES
- CCOP(=O)(C[N+]#[C-])OCC
- CAS Datenbank
- 41003 · 41003-94-5
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
Warning
H302+H312+H332 (95.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (95.1%)
Sicherheitsdaten
- F
- 8-9
- wgk
- 3
- ridadr
- UN2206
- hs_code
- 29319090
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi,Xn
- safety_code
- 26-36
- hazard_class
- 6.1
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
BeschreibungDiethyl isocyanoMethylphosphonate is a reagent for the elongation of aldehydes and ketones with a one-carbon unit; connective reagent; N,P-acetals; reagent for the conversion of nitroalkenes into 2-pyrrolephosphonates.
VerwendenReactant for:Copper-catalyzed cycloaddition reactionsPreparation of orally bioavailable diamide prodrugs that lower glucose in diabetic animals through inhibition of fructose-1,6-bisphosphataseSynthesis of sterol analogs as antifungal agents against plant pathogensAsymmetric synthesis of steroidal 2,5-diketopiperazines prepared via isocyanide chemistry based on stereoselective Ugi four component condensation and subsequent cyclocondensation reactionsThe Passerini reaction
Anbieter15 Anbieter
郑州汇聚化工有限公司0371-53399770 18037166334 · [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021-54306202 13764082696 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [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]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安阳鸿蒙新材料有限公司
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