O-(1H-Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate, 98%, Thermo Scientific Chemicals

Product Code	Brand	Quantity
11435627	Thermo Scientific Alfa Aesar B23597.06	5 g
11445627	Thermo Scientific Alfa Aesar B23597.14	25 g
11455627	Thermo Scientific Alfa Aesar B23597.22	100 g

Description

O-(1H-Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate is used as a coupling reagent for solid-phase peptide synthesis. It has been shown to effectively suppress racemization.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
O-(1H-Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium hexafluorophosphate is used as a coupling reagent for solid-phase peptide synthesis. It has been shown to effectively suppress racemization.

Solubility
Soluble in acetonitrile.

Notes
Store in a cool place. Keep the container tightly closed in a dry and well-ventilated place. Incompatible with oxidizing agents.

Chemical Identifiers

• CAS: 94790-37-1
• Molecular Weight (g/mol): 379.247
• InChI Key: UQYZFNUUOSSNKT-UHFFFAOYSA-N
• PubChem CID: 2733084
• SMILES: CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F

• Molecular Formula: C11H16F6N5OP
• MDL Number: MFCD00075445
• Synonym: hbtu, o-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate, 2-1h-benzotriazole-1-yl-1,1,3,3-tetramethyluronium hexafluorophosphate, hbtu-reagent, o-benzotriazol-1-yl-tetramethyluronium hexafluorophosphate, hbtu o-benzotriazole-n,n,n',n'-tetramethyl-uronium-hexafluoro-phosphate, n,n,n',n'-tetramethyl-o-1h-benzotriazol-1-yl uronium hexafluorophosphate, o-1h-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate, o-benzotriazole-n,n,n',n'-tetramethyluronium hexafluorophosphate
• IUPAC Name: [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphate

Specifications

• CAS: 94790-37-1
• Molecular Formula: C11H16F6N5OP
• Beilstein: 7328329
• Solubility Information: Soluble in acetonitrile.
• SMILES: CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F
• Molecular Weight (g/mol): 379.247
• Formula Weight: 379.25
• Chemical Name or Material: O-(1H-Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate

• Melting Point: ∼200°C (decomposition)
• MDL Number: MFCD00075445
• Synonym: hbtu, o-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate, 2-1h-benzotriazole-1-yl-1,1,3,3-tetramethyluronium hexafluorophosphate, hbtu-reagent, o-benzotriazol-1-yl-tetramethyluronium hexafluorophosphate, hbtu o-benzotriazole-n,n,n',n'-tetramethyl-uronium-hexafluoro-phosphate, n,n,n',n'-tetramethyl-o-1h-benzotriazol-1-yl uronium hexafluorophosphate, o-1h-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate, o-benzotriazole-n,n,n',n'-tetramethyluronium hexafluorophosphate
• InChI Key: UQYZFNUUOSSNKT-UHFFFAOYSA-N
• IUPAC Name: [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphate
• PubChem CID: 2733084
• Percent Purity: 98%

Safety and Handling

GHS H Statement
H315-H319-H335
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.

P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c

H315-H319-H335

missing translation for 'einecsNumber' : 423-020-5

missing translation for 'tsca' : No

Recommended Storage : Keep cold

RUO – Research Use Only