Grundinformationen
- Standard-SMILES
CCOP(=O)(C#N)OCC- InChIKey
ZWWWLCMDTZFSOO-UHFFFAOYSA-N- Summenformel
- C5H10NO3P
- Durchschnittliche Molmasse
- 163,11 g/mol
- Monoisotopische Masse
- 163,03982981
Überblick
reagent for solid phase peptide synthesis; structure
Namen und Bezeichner
- Bevorzugter Name
- Diethyl cyanophosphonate
- IUPAC
- diethoxyphosphorylformonitrile
- Lokaler Name
- Diethylcyanidophosphat
- Englischer Name
- Diethyl cyanophosphonate
- Summenformel
- C5H10NO3P
- Molmasse
- 163.11
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2942-58-7- PubChem CID
- 76257
- DTXSID
DTXSID90183639- UNII
- PAD4WPZ7T0
- EC Number
- 220-936-5
- Nikkaji
- J50.413K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 59,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 173
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 104 · 104-105 °C19 mm Hg(lit.)
- Dichte
- 1.075 g/mL · 1.075 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.403(lit.)
- Flammpunkt
- 177 °F · 177 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Acetonitrile (Slightly), Chloroform (Slightly)
- Aggregatzustand
- Liquid
- Wichte
- 1.075 · 1.075
- Farbe
- Clear colorless to yellow
- Wasserlöslichkeit
- DECOMPOSES
- BRN
- 1768938 · 1768938
- Stabilität
- Moisture Sensitive
- InChI
- 1S/C5H10NO3P/c1-3-8-10(7,5-6)9-4-2/h3-4H2,1-2H3
- InChIKey
- ZWWWLCMDTZFSOO-UHFFFAOYSA-N
- SMILES
- CCOP(=O)(OCC)C#N
- CAS Datenbank
- 2942 · 2942-58-7(CAS DataBase Reference)
- NIST chemische Informationen
- Diethyl cyanophosphonate(2942-58-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H300+H310+H330 (75%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards Summary
Intraperitoneal LD50 (mouse) = 1.4 mg/kg; [RTECS] Hydrolyzed by water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Highly toxic by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See Tabun.
Toxikologische Informationen
Sicherheitsdaten
- F
- 10-13-21
- wgk
- 3
- ridadr
- UN 2922 8/PG 2
- hs_code
- 29319090
- RTECS-Nr.
- TD2500000
- risk_code
- 34-32-26/27/28
- hazard_code
- C,Xi,T+
- hazard_note
- Irritant
- safety_code
- 26-36-45-50A-36/37/39-28A-36/37-28
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 2 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralEye Dam. 1Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenDiethyl cyanophosphonate was used in the synthesis of 4-acylthiol-4-deoxy-4′-demethyl epipodophyllotoxin analogs. Coupling reagent for peptide synthesis. Reagent for the phosphorylation of phenols. Activating agent for fluorescent derivatization of carboxylic acids which allows separation by HPLC.
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