1H-Benzotriazole-1-ethanol

Base Information

• Chemical Name: 1H-Benzotriazole-1-ethanol
• CAS No.: 938-56-7
• Molecular Formula: C8H9 N3 O
• Molecular Weight: 163.179
• Hs Code.: 2933990090
• NSC Number: 20757
• DSSTox Substance ID: DTXSID80239659
• Nikkaji Number: J1.603.740K
• Wikidata: Q83122063
• Mol file: 938-56-7.mol

Synonyms:938-56-7;1H-Benzotriazole-1-ethanol;2-(1H-benzo[d][1,2,3]triazol-1-yl)ethanol;2-(benzotriazol-1-yl)ethanol;2-(1H-1,2,3-benzotriazol-1-yl)ethan-1-ol;C8H9N3O;NSC20757;SCHEMBL2936169;DTXSID80239659;2-(1H-Benzotriazole-1-yl)ethanol;2-(benzotriazol-1-yl) ethan-1-ol;AB6126;MFCD00957173;NSC 20757;NSC-20757;2-(1H-BENZOTRIAZOL-1-YL)ETHANOL;LS-185210;CS-0270447;EN300-6750117;2-(1h-Benzo[d][1,2,3]triazol-1-yl)ethan-1-ol

Chemical Property of 1H-Benzotriazole-1-ethanol

Chemical Property:

• Vapor Pressure: 6.93E-06mmHg at 25°C
• Boiling Point: 362.4°Cat760mmHg
• Flash Point: 173°C
• PSA: 50.94000
• Density: 1.34g/cm³
• LogP: 0.42360
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 163.074561919
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

Benzotriazolylethanol,mixtureof(1H-benzotriazol-1-yl)ethanoland(2H-benzotriazol-2-yl)ethanol 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=NN2CCO

Technology Process of 1H-Benzotriazole-1-ethanol

There total 6 articles about 1H-Benzotriazole-1-ethanol 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: 60.0%

[1,3]-dioxolan-2-one (96-49-1) + 1,2,3-Benzotriazole (95-14-7,27556-51-0) → 2-(1H-benzo[d][1,2,3]triazol-1-yl)ethanol (938-56-7)

Guidance literature:

In toluene; for 5h; Reflux;

DOI:10.1134/S1070428020120052

Reference yield: 59.0%

2-(1H-1,2,3-benzotriazol-1-yl)acetic acid (4144-64-3) → 2-(1H-benzo[d][1,2,3]triazol-1-yl)ethanol (938-56-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃;

DOI:10.1021/jm061278q

Reference yield: 59.0%

→ 2-(1H-benzo[d][1,2,3]triazol-1-yl)ethanol (938-56-7)

Guidance literature:

upstream raw materials:

1,2,3-Benzotriazole

2-chloro-ethanol

ethyl 2-(2H-benzo[d][1,2,3]triazol-2-yl)acetate

2-(1H-1,2,3-benzotriazol-1-yl)acetic acid

Downstream raw materials:

1-vinylbenzotriazole

1-<2-Morpholino-aethyl>-benzotriazol