2-Chloro-1,3-dimethylimidazolidinium tetrafluoroborate
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Grundinformationen
- CAS
153433-26-2- Standard-SMILES
CN1CC[N+](C)=C1Cl.F[B-](F)(F)F- InChIKey
UPLXKEIRISBKRM-UHFFFAOYSA-N- Summenformel
- C5H10BClF4N2
- Durchschnittliche Molmasse
- 220,41 g/mol
- Monoisotopische Masse
- 220,0561688
Namen und Bezeichner
- Bevorzugter Name
- 2-Chloro-1,3-dimethylimidazolidinium tetrafluoroborate
- IUPAC
- 2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium tetrafluoroborate
- Englischer Name
- 2-Chloro-1,3-dimethylimidazolidinium tetrafluoroborate
- Summenformel
- C5H10ClN2.BF4
- Molmasse
- 220.4
Namen und Synonyme
RefChem:468225623-751-12-Chloro-1,3-dimethylimidazolidinium tetrafluoroborate153433-26-22-Chloro-1,3-dimethyl-4,5-dihydroimidazolium tetrafluoroborateMFCD090392912-Chloro-1,3-dimethylimidazolinium TetrafluoroborateC5H10BClF4N2SCHEMBL5313803AKOS025401721AC-24867AS-17501
Weitere Namen anzeigen
CIBKIPCIBPClBABHD14BPRKDCIPSIP2-28MGC15429CIB REAGENT[M2ClIm]BF4
SY019047C34442-Chloro-1,3-dimethylimidazolium tetrafluoroborate2-Chloro-1,3-dimethyl-4,5-dihydroimidazoliumtetrafluoroborate2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium;tetrafluoroborate2-Chloro-1,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium tetrafluoroborate
Datenbank-Bezeichner
- CAS
153433-26-2- PubChem CID
- 16211676
- EC Number
- 623-751-1
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 6,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 134
Physikochemische Eigenschaften
- Schmelzpunkt
- 175 · 175-177 °C(lit.)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 0.1 g/mL, · acetonitrile: 0.1 g/mL, clear
- Aggregatzustand
- Powder or Crystalline Powder
- Farbe
- White to off-white
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C5H10ClN2.BF4/c1-7-3-4-8(2)5(7)6;2-1(3,4)5/h3-4H2,1-2H3;/q+1;-1
- InChIKey
- UPLXKEIRISBKRM-UHFFFAOYSA-N
- SMILES
- C1(Cl)=[N+](C)CCN1C.[B-](F)(F)(F)F
- CAS Datenbank
- 153433 · 153433-26-2(CAS DataBase Reference)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)
Sicherheitsdaten
- F
- 8-10-21
- wgk
- 3
- hs_code
- 29332900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden2-Chloro-1,3-dimethylimidazolium tetrafluoroborate is a reagent for esterification of C-terminal amino acids to Wang resin without racemization and for coupling α,α-dimethyl amino acids; and for preparation of the benzotriazol-1-yloxy derivative, a new coupling reagent. It is used as a reagent for esterification and peptide coupling of sterically hindered amino acids; preparation of efficient diazo-transfer reagents; oxidative insertion for palladium and nickel catalyst synthesis; and preparation of catalysts for use in coupling reactions.
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