3-(1H-1,2,4-triazol-1-ylmethyl)aniline

Base Information

Chemical Name:3-(1H-1,2,4-triazol-1-ylmethyl)aniline
CAS No.:127988-22-1
Molecular Formula:C9H10N4
Molecular Weight:174.205
Hs Code.:2933990090
DSSTox Substance ID:DTXSID30424311
Wikidata:Q27466794
ChEMBL ID:CHEMBL3804838
Mol file:127988-22-1.mol

Synonyms:127988-22-1;3-(1H-1,2,4-triazol-1-ylmethyl)aniline;3-(1,2,4-triazol-1-ylmethyl)aniline;3-[(1,2,4-Triazol-1-yl)methyl]aniline;3-((1H-1,2,4-Triazol-1-yl)methyl)aniline;3-[(1H-1,2,4-Triazol-1-yl)methyl]aniline;3-[1,2,4]Triazol-1-ylmethyl-phenylamine;Benzenamine, 3-(1H-1,2,4-triazol-1-ylmethyl)-;MFCD08060528;Benzenamine,3-(1H-1,2,4-triazol-1-ylmethyl)-;SCHEMBL1790853;CHEMBL3804838;DTXSID30424311;LFINNEVQJQXPHN-UHFFFAOYSA-N;1-methoxy-2-methylphenylboronic acid;AC3648;BBL030891;STL311867;AKOS000148979;PS-4961;SY028815;CS-0216496;FT-0643078;EN300-45168;[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]amine;A889104;Q27466794;3-(1H-1,2,4-triazol-1-ylmethyl)aniline, AldrichCPR;Z285163624

Suppliers and Price of 3-(1H-1,2,4-triazol-1-ylmethyl)aniline

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-(1H-1,2,4-triazol-1-ylmethyl)aniline
100mg
$ 90.00

SynQuest Laboratories
3-[(1H-1,2,4-Triazol-1-yl)methyl]aniline 97%
1 g
$ 120.00

Matrix Scientific
3-[1,2,4]Triazol-1-ylmethyl-phenylamine
500mg
$ 62.00

Crysdot
3-((1H-1,2,4-Triazol-1-yl)methyl)aniline 95+%
5g
$ 330.00

ChemBridge Corporation
3-(1H-1,2,4-triazol-1-ylmethyl)aniline 95%
250 mg
$ 99.00

Atlantic Research Chemicals
3-(1H-1,2,4-Triazol-1-ylmethyl)aniline 95%
1gm:
$ 265.09

American Custom Chemicals Corporation
3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)ANILINE 95.00%
1G
$ 888.93

American Custom Chemicals Corporation
3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)ANILINE 95.00%
250MG
$ 708.48

Alichem
3-((1H-1,2,4-Triazol-1-yl)methyl)aniline
5g
$ 352.98

AK Scientific
3-[1,2,4]Triazol-1-ylmethyl-phenylamine
500mg
$ 133.00

Total 10 raw suppliers

Chemical Property of 3-(1H-1,2,4-triazol-1-ylmethyl)aniline

Chemical Property:

Vapor Pressure:7.44E-07mmHg at 25°C
Melting Point:88 °C
Refractive Index:1.663
Boiling Point:407.6 °C at 760 mmHg
PKA:4.28±0.10(Predicted)
Flash Point:200.3 °C
PSA：56.73000
Density:1.26g/cm³
LogP:1.48980
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:174.090546336
Heavy Atom Count:13
Complexity:162

Purity/Quality:

97% ^*data from raw suppliers

3-(1H-1,2,4-triazol-1-ylmethyl)aniline ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes: Harmful:;

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)N)CN2C=NC=N2

Technology Process of 3-(1H-1,2,4-triazol-1-ylmethyl)aniline

There total 3 articles about 3-(1H-1,2,4-triazol-1-ylmethyl)aniline 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: 80.0%

: 127988-20-9
(1H-1,2,4-triazol-1-ylmethyl)-3-nitrobenzene

: 127988-22-1
3-(1H-1,2,4-triazol-1-ylmethyl)benzeneamine

Guidance literature:: With ammonium chloride; zinc; In tetrahydrofuran; at 20 ℃; for 1h;

Reference yield:

: 3958-57-4
1-bromomethyl-3-nitrobenzene

: 127988-22-1
3-(1H-1,2,4-triazol-1-ylmethyl)benzeneamine

Guidance literature:: Multi-step reaction with 3 steps

1: 75 percent / ethanol / 4 h / Heating

2: 40 percent / 10percent aq NaNO₂ / aq. HCl / 0 °C

3: 75 percent / H₂ / 10percent Pd-C / ethyl acetate / 60 °C / 760 Torr

With hydrogen; sodium nitrite; palladium on activated charcoal; In hydrogenchloride; ethanol; ethyl acetate;
DOI:10.1016/0223-5234(89)90059-7

Reference yield:

: 127988-18-5
4-amino-1-(3-nitrobenzyl)-1,2,4-triazolium bromide

: 127988-22-1
3-(1H-1,2,4-triazol-1-ylmethyl)benzeneamine

Guidance literature:: Multi-step reaction with 2 steps

1: 40 percent / 10percent aq NaNO₂ / aq. HCl / 0 °C

2: 75 percent / H₂ / 10percent Pd-C / ethyl acetate / 60 °C / 760 Torr

With hydrogen; sodium nitrite; palladium on activated charcoal; In hydrogenchloride; ethyl acetate;
DOI:10.1016/0223-5234(89)90059-7