O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
125700-67-6- Standard-SMILES
CN(C)C(On1nnc2ccccc21)=[N+](C)C.F[B-](F)(F)F- InChIKey
JKEKMBGUVUKMQB-UHFFFAOYSA-N- Summenformel
- C11H16BF4N5O
- Durchschnittliche Molmasse
- 321,08 g/mol
- Monoisotopische Masse
- 321,138403
Namen und Bezeichner
- Bevorzugter Name
- O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate
- IUPAC
- [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate
- Englischer Name
- TBTU
- Summenformel
- C11H16BF4N5O
- Molmasse
- 321.09
Namen und Synonyme
125700-67-6O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborateDTXSID50925234RefChem:855142DTXCID201354064603-087-9TBTU2-(1H-Benzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate2-(1h-benzo[d][1,2,3]triazol-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborateMFCD00077413C11H16BF4N5O2-(1h-benzotriazol-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate
Weitere Namen anzeigen
2-(1H-Benzotriazole-1-yl)-1,1,3,3-tetrabenzotriazol-1-yl-tetramethyluroniumtetrafluoroborate[benzotriazol-1-yloxy(dimethylamino)methylene]-dimethyl-ammonium1-[Bis(dimethylamino)methylene]-1H-benzotriazolium 3-Oxide Tetrafluoroborate
N,N,N',N'-Tetramethyl-O-(benzotriazol-1-yl)uronium tetrafluoroborateo-(benzotriazol-1-yl)-n,n,n',n'-tetra methyluronium tetrafluoroborateo-(1h-benzotriazol-1-yl)-n,n,n',n'-tetramethyluronium tetrafluoroborate[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium;tetrafluoroborate1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-, 3-oxide, tetrafluoroborate(1-) (1:1)TBTU Reagento-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium tetrafluoroborateRX5S2LD7C4
Datenbank-Bezeichner
- CAS
125700-67-6- PubChem CID
- 2733207
- DTXSID
DTXSID50925234- UNII
- RX5S2LD7C4
- EC Number
- 423-040-4、603-087-9
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 46,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 306
Experimentelle und physikochemische Eigenschaften
Physical DescriptionWhite crystals; [Sigma-Aldrich]
Physikochemische Eigenschaften
- Schmelzpunkt
- 205 °C · 205 °C (dec.)(lit.)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 0.1 g/mL, · acetonitrile: 0.1 g/mL, clear
- Aggregatzustand
- Powder
- Farbe
- White to Almost white
- Wasserlöslichkeit
- Soluble in acetonitrile (100 mg/ml, clear, colorless), DMF (160.55 mg/ml, clear), and water (3 mg/ml at 20°C).
- BRN
- 7066325 · 7066325
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C11H16N5O.BF4/c1-13(2)11(14(3)4)15-9-7-5-6-8-10(9)16(17)12-15;2-1(3,4)5/h5-8H,1-4H3;/q+1;-1
- InChIKey
- NQGZJNPFMLJDKU-UHFFFAOYSA-M
- SMILES
- [B+3]([F-])([F-])([F-])[F-].C(=[N+]1/N=N(=O)C2=CC=CC=C/12)(\N(C)C)/N(C)C
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
Danger
H228 (31.1%): Flammable solid [Danger Flammable solids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (65.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P240, P241, P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 177 reports by companies from 15 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
Regulatory Information
Status: No longer Valid Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4773；Status: Active Update: 29-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24480；Status: Cease Manufacture Update: 11-12-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/8263
Status: Active Update: 06-07-2009 https://echa.europa.eu/registration-dossier/-/registered-dossier/1092
Hazards Summary
Occupational asthma confirmed in a laboratory technician exposed to peptide coupling reagents (TBTU and HBTU); [Malo] No information on reproductive or lactation effects; [REPROTOX] Moderate skin, eye, and respiratory irritant; [Sigma-Aldrich]
Chemie und Industrie
Verwendung und Herstellung
UsesActivator for peptide synthesis; [ChemIDplus]
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Zugehörige Reaktionen
4.126
Notizen zur Verbindung
Wird geladen…