O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate

HCID 2733207CAS 125700-67-6

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Grundinformationen

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

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

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 Struktureigenschaften

Polarare Oberfläche (TPSA): 46,2 Å²
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]

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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 · 2 Einträge

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 · 1 Eintrag

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]

Hazard Classes and Categories · 2 Einträge

Flam. Sol. 1 (87.5%)；Acute Tox. 4 (37.5%)；Skin Irrit. 2 (50%)；Skin Sens. 1 (18.8%)；Eye Irrit. 2 (50%)；STOT SE 3 (50%)

Flam. Sol. 1 (31.1%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (65.5%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)