1-Hydroxybenzotriazole

Base Information

• Chemical Name: 1-Hydroxybenzotriazole
• CAS No.: 2592-95-2
• Molecular Formula: C6H5N3O
• Molecular Weight: 135.125
• Hs Code.: 29339980
• European Community (EC) Number: 219-989-7
• UNII: A2T929DMG4
• DSSTox Substance ID: DTXSID3044627
• Nikkaji Number: J697.528C,J32.434E
• Wikidata: Q161641
• ChEMBL ID: CHEMBL1389920
• Mol file: 2592-95-2.mol

Synonyms:1-hydroxybenzotriazole;1-hydroxybenzotriazole, ammonium salt;1-hydroxybenzotriazole, sodium salt;HOBt;N-hydroxybenzotriazole

Chemical Property of 1-Hydroxybenzotriazole

Chemical Property:

• Appearance/Colour: white to light yellow powder
• Vapor Pressure: 3.28E-05mmHg at 25°C
• Melting Point: 156-159 °C
• Refractive Index: n20/D 1.488
• Boiling Point: 344.6 °C at 760 mmHg
• PKA: 7.39±0.58(Predicted)
• Flash Point: 162.2 °C
• PSA: 61.80000
• Density: 1.51 g/cm³
• LogP: 0.66350
• Storage Temp.: Store at RT.
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 4.201g/L at 29℃
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 135.043261791
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

1-Hydroxybenzotriazole 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi,T
• Hazard Codes: F,Xi,T,E
• Statements: 11-5-36/38-36/37/38-36-20/21-61-2
• Safety Statements: 16-33-7/9-26-45-53-15-36/37-35

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Triazoles
• Canonical SMILES: C1=CC=C2C(=C1)N=NN2O
• Uses: 1-Hydroxybenzotriazole (HOBT) is used in preparation method of carbon fiber/polyamide composite powder material for laser sintering.

Technology Process of 1-Hydroxybenzotriazole

There total 51 articles about 1-Hydroxybenzotriazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

2-Chloronitrobenzene (88-73-3) → benzotriazol-1-ol (2592-95-2)

Guidance literature:

With hydrazine hydrate; In n-heptan1ol; at 110 - 120 ℃; for 5h;

DOI:10.1016/j.bmc.2010.10.049

Reference yield: 90.1%

nitrobenzene (98-95-3,26969-40-4) → benzotriazol-1-ol (2592-95-2)

Guidance literature:

With hydrogenchloride; sodium carbonate; In water; toluene;

Reference yield: 62.0%

(2-nitrophenyl)hydrazine (3034-19-3) → benzotriazol-1-ol (2592-95-2)

Guidance literature:

With triethylamine; In xylene; for 3h; Heating;

DOI:10.1016/S0014-827X(02)00003-4

upstream raw materials:

1-nitro-2-phenoxy-benzene

(2-nitrophenyl)hydrazine

1,2,3-Benzotriazole

hydrazine hydrate

Downstream raw materials:

N^α-Boc-N^δ-tosyl-Arg-OBt

1,2,3-benzotriazol-1-yl-6 triphenylmethylaminohexyl carboxylate

Refernces

• 1、 Goldschmidt G?z, Viktória,Nagy, Adrienn,Farkas, Viktor,Keszei, Ern?,Perczel, András. "Unwanted hydrolysis or α/β-peptide bond formation: How long should the rate-limiting coupling step take?". . p. 30720 - 30728. Retrieved 2019/10/28.
• 2、 -. "N-aryl benzotriazole type nitrogen oxygen derivative and synthesis method thereof". Paragraph 0040-0042. . Retrieved 2016/11/24.