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660086

Sigma-Aldrich

1,1′-Carbonylbisbenzotriazole preparation

40 wt. % slurry in H2O

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About This Item

Empirical Formula (Hill Notation):
C13H8N6O
CAS Number:
68985-05-7
Molecular Weight:
264.24
MDL number:
MFCD00130234
UNSPSC Code:
12352005
PubChem Substance ID:
24884457

reaction suitability

reaction type: C-C Bond Formation

concentration

40 wt. % slurry in H2O

bp

100 °C

SMILES string

O=C(n1nnc2ccccc12)n3nnc4ccccc34

InChI

1S/C13H8N6O/c20-13(18-11-7-3-1-5-9(11)14-16-18)19-12-8-4-2-6-10(12)15-17-19/h1-8H

InChI key

ZXYBIPTYOWWVQD-UHFFFAOYSA-N

Application

New Benzotriazole Reagents

  • Coupling reagent for solid and solution phase combinatorial synthesis of ureas based on amino acids
Reagent for tert-butoxycarbonylation of acidic substrates such phenols, aromatic and aliphatic amine hydrochlorides, and aromatic carboxylic acids in the absence of a base.[1]

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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Certificates of Analysis (COA)

Lot/Batch Number
09428PD
12824KD

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Tetrahedron, 62, 11599-11599 (2006)

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