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About This Item
Empirical Formula (Hill Notation):
C6H5N3O · xH2O
CAS Number:
Molecular Weight:
135.12 (anhydrous basis)
Beilstein:
4515
EC Number:
MDL number:
UNSPSC Code:
12352000
PubChem Substance ID:
NACRES:
NA.22
Quality Level
Assay
97% dry basis
form
powder
quality
wetted with not less than 20 wt. % water
composition
Water content, ~20%
reaction suitability
reaction type: Addition Reactions
mp
155-158 °C (lit.)
solubility
DMF: 0.1 g/mL, clear
SMILES string
[H]O[H].On1nnc2ccccc12
InChI
1S/C6H5N3O.H2O/c10-9-6-4-2-1-3-5(6)7-8-9;/h1-4,10H;1H2
InChI key
PJUPKRYGDFTMTM-UHFFFAOYSA-N
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General description
1-Hydroxybenzotriazolehydrate (HOBt hydrate) is a hydrated form of HOBt. HOBt is a nucleophilic additive commonly used in synthetic chemistry. It is widely employed as acatalyst or stoichiometric additive to accelerate nucleophilic acyl substitution reactions, specifically amidations. Additionally, it is also used in the synthesis of peptides and nucleotides.
Application
1-Hydroxybenzotriazole hydrate is used as an additive:
- In the oligonucleotide couplings.
- In the preparation of poly(ethylene glycol)methyl ether-grafted CTS (mPEG-g-CTS).
- In the solid phase peptide synthesis on TCNEO(tetracyanoethylene oxide)-modified graphite.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Aquatic Chronic 3 - Desen. Expl. 2 - Eye Irrit. 2
Storage Class Code
4.1A - Other explosive hazardous materials
WGK
WGK 1
Flash Point(F)
314.6 °F
Flash Point(C)
157 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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