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Merck
CN

B2778

Sigma-Aldrich

HBTU

Synonym(s):

N,N,N′,N′-Tetramethyl-O-(1H-benzotriazol-1-yl)uronium hexafluorophosphate, O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium hexafluorophosphate

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About This Item

Empirical Formula (Hill Notation):
C11H16F6N5OP
CAS Number:
94790-37-1
Molecular Weight:
379.24
Beilstein:
7328329
EC Number:
423-020-5
MDL number:
MFCD00075445
UNSPSC Code:
12352200

Key Documents

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mp

200 °C (dec.) (lit.)

storage temp.

2-8°C

SMILES string

F[P-](F)(F)(F)(F)F.CN(C)C(\On1nnc2ccccc12)=[N+](/C)C

InChI

1S/C11H16N5O.F6P/c1-14(2)11(15(3)4)17-16-10-8-6-5-7-9(10)12-13-16;1-7(2,3,4,5)6/h5-8H,1-4H3;/q+1;-1

InChI key

UQYZFNUUOSSNKT-UHFFFAOYSA-N

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Application

Recent studies show that crystal as well as solution structure of this coupling agent is a guanidinium N-oxide and not an uronium compound; Coupling reagent for peptide synthesis; advantages are: very low racemization, simple reaction conditions, very short reaction time, and high yields.

Other Notes

This product has been replaced by 12804-ALDRICH | HBTU ≥98.0% (T)

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H317

Hazard Classifications

Skin Sens. 1A

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
129H1725
122K2639
054H2617
033K2610
018H2504

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