4-(1H-1,2,4-Triazol-1-ylmethyl)benzenamine hydrochloride

Base Information

• Chemical Name: 4-(1H-1,2,4-Triazol-1-ylmethyl)benzenamine hydrochloride
• CAS No.: 144235-64-3
• Molecular Formula: C₉H₁₀N₄*ClH
• Molecular Weight: 210.666
• Hs Code.: 2933990090
• European Community (EC) Number: 625-752-2
• DSSTox Substance ID: DTXSID40470809
• Mol file: 144235-64-3.mol

Synonyms:144235-64-3;4-(1H-1,2,4-Triazol-1-ylmethyl)benzenamine hydrochloride;4-(1H-1,2,4-Triazol-1-ylmethyl)aniline hydrochloride;4-(1,2,4-triazol-1-ylmethyl)aniline;hydrochloride;Benzenamine, 4-(1H-1,2,4-triazol-1-ylmethyl)-, hydrochloride (1:1);4-((1H-1,2,4-Triazol-1-yl)methyl)aniline hydrochloride;4-(1,2,4-Triazolylmethyl)phenylamine hydrochloride;SCHEMBL3461851;4-(1H-1,2,4-Triazole-1-ylmethyl)aniline hydrochloride;DTXSID40470809;FEDYLAMMQSHIOY-UHFFFAOYSA-N;AKOS015901340;AC-3464;FT-0769712;J-007936;1-(4-Aminophenyl)methyl-1,2,4-triazole. Hydrochloride;4-((1H-1,2,4-Triazol-1-yl)methyl)anilinehydrochloride;4-(1,2,4-triazol-1-ylmethyl)phenylamine hydrochloride;4-(1H-1,2,4-Triazol-1-ylmethyl)aniline hydrochloride, 97%;4-[(1H-1,2,4-Triazol-1-yl)methyl]aniline--hydrogen chloride (1/1)

Chemical Property of 4-(1H-1,2,4-Triazol-1-ylmethyl)benzenamine hydrochloride

Chemical Property:

• Appearance/Colour: off-white to yellow powder
• Vapor Pressure: 1.12E-06mmHg at 25°C
• Melting Point: 173-182 °C
• Boiling Point: 402.1 °C at 760 mmHg
• Flash Point: 197 °C
• PSA: 56.73000
• Density: 1.401 g/cm3
• LogP: 2.29180
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 210.0672241
• Heavy Atom Count: 14
• Complexity: 154

Purity/Quality:

99%, ^*data from raw suppliers

4-(1H-1,2,4-Triazol-1-ylmethyl)aniline hydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN2C=NC=N2)N.Cl

Technology Process of 4-(1H-1,2,4-Triazol-1-ylmethyl)benzenamine hydrochloride

There total 3 articles about 4-(1H-1,2,4-Triazol-1-ylmethyl)benzenamine hydrochloride 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: 100.0%

1-(4-nitrophenyl)methyl-1,2,4-triazole (119192-09-5) → 4-(1,2,4-triazolylmethyl)phenylamine hydrochloride (144235-64-3)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; ethyl acetate; for 0.2h; under 2068.6 Torr;

DOI:10.1021/jm00010a025

Reference yield:

4-(1H-1,2,4-triazol-1-ylmethyl)aniline (119192-10-8) → 4-(1,2,4-triazolylmethyl)phenylamine hydrochloride (144235-64-3)

Guidance literature:

With hydrogenchloride; In methanol; water; at 5 ℃;

Reference yield:

1-bromomethyl-4-nitro-benzene (100-11-8) → 4-(1,2,4-triazolylmethyl)phenylamine hydrochloride (144235-64-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 52 percent / dimethylformamide / 16 h / 25 °C

2: 100 percent / H₂, 2N aq. HCl / 10percent Pd/C / ethanol; ethyl acetate / 0.2 h / 2068.6 Torr

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1021/jm00010a025

upstream raw materials:

1-(4-nitrophenyl)methyl-1,2,4-triazole

1-bromomethyl-4-nitro-benzene

4-(1H-1,2,4-triazol-1-ylmethyl)aniline