1H-Benzotriazole, 5,5'-methylenebis-

Base Information

• Chemical Name: 1H-Benzotriazole, 5,5'-methylenebis-
• CAS No.: 15805-10-4
• Molecular Formula: C13H10N6
• Molecular Weight: 250.263
• Hs Code.: 2933990090
• European Community (EC) Number: 239-903-1
• DSSTox Substance ID: DTXSID4065947
• Nikkaji Number: J248.770E
• Wikidata: Q72490385
• Mol file: 15805-10-4.mol

Synonyms:15805-10-4;5,5'-Methylenebis(1H-benzotriazole);Bis(1H-benzo[d][1,2,3]triazol-5-yl)methane;5-(2H-benzotriazol-5-ylmethyl)-2H-benzotriazole;1H-Benzotriazole, 5,5'-methylenebis-;1H-Benzotriazole, 6,6'-methylenebis-;5,5'-Methylenebis-1H-benzotriazole;6-((1H-benzo[d][1,2,3]triazol-5-yl)methyl)-1H-benzo[d][1,2,3]triazole;C13H10N6;EINECS 239-903-1;5,5/'-methylenebis(1H-benzotriazole);5,5'-METHYLENEBIS(BENZOTRIAZOLE);CBDivE_003160;Methylenebisbenzotriazole;Oprea1_575307;Oprea1_703852;Oprea1_876094;SCHEMBL501616;DTXSID4065947;Methane, bis(5-benzotriazolyl)-;BCP18622;MFCD00758857;STK955468;AKOS015915008;6,6'-methanediylbis(1H-benzotriazole);BS-15835;6,6'-Methylenebis-1H-1,2,3-benzotriazole;CS-0032046;FT-0651870;5,5'-methylenebis(1H-benzotriazole pound(c);A809896;5-(1H-1,2,3-Benzotriazol-5-ylmethyl)-1H-1,2,3-benzotriazole #;6-(1H-1,2,3-Benzotriazol-6-ylmethyl)-1H-1,2,3-benzotriazole

Chemical Property of 1H-Benzotriazole, 5,5'-methylenebis-

Chemical Property:

• Melting Point: 238-240℃
• Boiling Point: 543.07 °C at 760 mmHg
• PKA: 8.36±0.40(Predicted)
• Flash Point: 261.918 °C
• PSA: 83.14000
• Density: 1.502 g/cm³
• LogP: 1.82000
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 250.09669434
• Heavy Atom Count: 19
• Complexity: 294

Purity/Quality:

99% ^*data from raw suppliers

6-(1H-1,2,3-Benzotriazol-6-ylmethyl)-1H-1,2,3-benzotriazole Tech ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NNN=C2C=C1CC3=CC4=NNN=C4C=C3

Technology Process of 1H-Benzotriazole, 5,5'-methylenebis-

There total 5 articles about 1H-Benzotriazole, 5,5'-methylenebis- 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: 92.0%

3,3',4,4'-tetraaminodiphenylmethane (1779-05-1) + methyl nitrite (624-91-9) → 5,5'-methylene-bis(benzotriazole) (15805-10-4)

Guidance literature:

In methanol; water; at 40 ℃; for 2h; Inert atmosphere;

DOI:10.1080/00304940902802172

Reference yield: 85.0%

3,3',4,4'-tetraaminodiphenylmethane (1779-05-1) → 5,5'-methylene-bis(benzotriazole) (15805-10-4)

Guidance literature:

With acetic acid; sodium nitrite; at 13 - 70 ℃; for 1h; Inert atmosphere;

DOI:10.1002/jhet.2557

Reference yield:

2-nitro-aniline (88-74-4) → 5,5'-methylene-bis(benzotriazole) (15805-10-4)

Guidance literature:

Multi-step reaction with 4 steps

1: alcohol; water

2: concentrated hydrochloric acid

3: tin; hydrochloric acid

4: diluted sulfuric acid; sodium nitrite

With hydrogenchloride; tin; ethanol; sulfuric acid; water; sodium nitrite;

upstream raw materials:

3,3',4,4'-tetraaminodiphenylmethane

3,3'-dinitro-4,4'-diaminodiphenylmethane

N,N'-bis(2-nitrophenyl)methanediamine

2-nitro-aniline