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2592-95-2

2592-95-2 structural image
Product Name: 1-Hydroxybenzotriazole
Formula: C6H5N3O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White solid; [Merck Index] Light yellow fine crystals with lumps; [Sigma-Aldrich MSDS]
Solubility 8.4 [ug/mL] (The mean of the results at pH 7.4)
Chemical Classes Nitrogen Compounds -> Triazoles

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02
GHS Hazard Statements H228:Flammable solids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

COMPUTED DESCRIPTORS

Molecular Weight 135.12 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 135.043261791 g/mol
Monoisotopic Mass 135.043261791 g/mol
Topological Polar Surface Area 50.9 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 130
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1-Hydroxybenzotriazole is a coupling reagent used to synthesize amides by the condensation reaction between the activated ester/acid and the amino group of protected amino acids. It is also used as a racemization suppressor during peptide synthesis.

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