Tert-butyl 2,2,2-trichloroethanimidate
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
98946-18-0- Standard-SMILES
CC(C)(C)OC(=N)C(Cl)(Cl)Cl- InChIKey
CQXDYHPBXDZWBA-UHFFFAOYSA-N- Summenformel
- C6H10Cl3NO
- Durchschnittliche Molmasse
- 218,5 g/mol
- Monoisotopische Masse
- 216,982797
Namen und Bezeichner
- Bevorzugter Name
- Tert-butyl 2,2,2-trichloroethanimidate
- IUPAC
- tert-butyl 2,2,2-trichloroethanimidate
- Englischer Name
- tert-Butyl 2,2,2-trichloroacetimidate
- Summenformel
- C6H10Cl3NO
- Molmasse
- 218.51
Namen und Synonyme
tert-butyl 2,2,2-trichloroethanimidateRefChem:892146629-631-5tert-Butyl 2,2,2-trichloroacetimidate98946-18-0tert-Butyl trichloroacetimidatetert-Butyl-2,2,2-trichloroacetimidateC6H10Cl3NOMFCD000774102,2,2-Trichloroacetimidic Acid tert-Butyl Estert-Butyl trichloroacetimidatet-butyl 2,2,2-trichloroacetimidate
Weitere Namen anzeigen
TBTAFMOC-NH2Tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]aminetert-butyl 2,2,2-trichloroethanecarboximidate9-(FLUORENYLMETHYLCARBONYL) AMIDETert butyl trichloroacetimide ester
1-(tert-butoxy)-2,2,2-trichloroethaniminetert-Butyl2,2,2-trichloroacetimidate2,2,2-Trichloroethanimidic acid tert-butyl ester; O-tert-Butyl trichloroacetimidate; tert-Butyl 2,2,2-trichloroacetimidate; tert-Butyl trichloroacetimidateEthanimidic acid, 2,2,2-trichloro-, 1,1-dimethylethyl estert-butyltrichloroacetimidateA24534t-Butyl trichioroacetimidatet-butyl-trichloroacetimidate
Datenbank-Bezeichner
- CAS
98946-18-0- PubChem CID
- 2734700
- DTXSID
DTXSID40370451- EC Number
- 629-631-5
- Nikkaji
- J254.933F
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 33,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 156
Physikochemische Eigenschaften
- Schmelzpunkt
- 21 °C · 21 °C(lit.)
- Siedepunkt
- 65 °C11 · 65 °C11 mm Hg(lit.)
- Dichte
- 1.222 · 1.222
- Brechungsindex
- 20 · n20/D 1.456(lit.)
- Flammpunkt
- 131 °F · 131 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Soluble in organic solvents, cyclo hexane.
- Aggregatzustand
- Liquid or Low Melting Crystalline Mass
- pka
- 2.49 · 2.49±0.70(Predicted)
- Wichte
- 1.222 · 1.222
- Farbe
- Clear colorless to pale yellow
- BRN
- 1770049 · 1770049
- Stabilität
- Hygroscopic
- InChI
- 1S/C6H10Cl3NO/c1-5(2,3)11-4(10)6(7,8)9/h10H,1-3H3
- InChIKey
- CQXDYHPBXDZWBA-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OC(=N)C(Cl)(Cl)Cl
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
H226 (98%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (88%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 3 (98%)；Acute Tox. 4 (88%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)
Sicherheitsdaten
- F
- 10-21
- wgk
- 3
- tsca
- No
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29252900
- risk_code
- 10-22-36/37/38
- hazard_code
Chemie und Industrie
Anwendungen
Verwendentert-Butyl 2,2,2-trichloroacetimidate is used to produce di-tert-butyl peroxide at temperature of -5°C. It may be used in the synthesis of N-α-Fmoc-phospho(1-nitrophenylethyl-2-cyanoethyl)-L-serine, caged building block. It may be used in the conversion of alcohols and carboxylic acids to their respective ethers and esters.
Darstellung
synthetischePotassium t-Butoxide (1.68 g, 15 mmol) was dissolved in t-butanol (30 mL) and this solution was added over 15 min to a stirred solution of Trichloroacetonitrile (21.6 g, 15 mL, 15 mmol) in dry diethyl ether (30 mL) cooled to 0 °C under nitrogen. The yellow mixture was allowed to warm to 20 °C over 1 h, and then heated to reflux for 1 h. After the reaction mixture had been cooled to rt, volatiles were removed on the rotary evaporator and the residual oil was dissolved in pentane (30 mL). The solution was filtered and the pentane was removed on the rotary evaporator. The residue was then distilled to yield 23 g (70%), bp 65-69 °C/12 mmHg, which solidified on storage.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
97
Notizen zur Verbindung
Wird geladen…