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54802 Sigma-Aldrich

1-Hydroxybenzotriazole hydrate

≥97.0% (T)

Synonym: HOBt Hydrate

  • CAS Number 123333-53-9

  • Empirical Formula (Hill Notation) C6H5N3O · xH2O

  • Molecular Weight 135.12 (anhydrous basis)

  •  Beilstein/REAXYS Number 4515

  •  EC Number 219-989-7

  •  PubChem Substance ID 57651485

  •  NACRES NA.22

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Properties

Related Categories Active Esters/Additives, Chemical Biology, Chemical Synthesis, Coupling, Peptide Coupling,
Quality Level   200
assay   ≥97.0% (T)
application(s)   peptide synthesis: suitable
impurities   ~12% water
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

Description

Other Notes

Widely used additive to decrease racemization in the carbodiimide peptide coupling; Racemization-free condensation of peptide fragments

Safety & Documentation

Safety Information

Symbol 
Signal word 
Warning
Hazard statements 
Supplemental Hazard Statements 
EUH001 - EUH044
RIDADR 
UN3474 - class 4.1 - PG 1 - 1-Hydroxybenzotriazole, monohydrate
WGK Germany 
nwg
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Protocols & Articles

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Peer-Reviewed Papers
15

References

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