5-(3-Nitrophenyl)-4H-1,2,4-triazol-3-amine

Base Information

Chemical Name:5-(3-Nitrophenyl)-4H-1,2,4-triazol-3-amine
CAS No.:59301-20-1
Molecular Formula:C8H7 N5 O2
Molecular Weight:205.176
Hs Code.:
DSSTox Substance ID:DTXSID60389025
Wikidata:Q72495864
ChEMBL ID:CHEMBL1334286
Mol file:59301-20-1.mol

Synonyms:59301-20-1;5-(3-NITROPHENYL)-4H-1,2,4-TRIAZOL-3-AMINE;3-(3-nitrophenyl)-1H-1,2,4-triazol-5-amine;5-(3-nitrophenyl)-1H-1,2,4-triazol-3-amine;MLS000576426;Cambridge id 5303873;CHEMBL1334286;SCHEMBL10119735;SCHEMBL19355962;DTXSID60389025;NTQPIRMIEKTLBR-UHFFFAOYSA-N;HMS2550K07;BBL022441;MFCD00452056;STK897527;AKOS000161805;AKOS001574513;AKOS015830683;SMR000185255;A8340;EU-0000801;FT-0736076;EN300-68354;1,2,4-Triazol-3-amine, 5-(3-nitrophenyl)-;AB00079556-01;SR-01000394298;SR-01000394298-1;5-(3-Nitrophenyl)-4H-1,2,4-triazol-3-ylamine #;F0345-0992;Z1263602418

Suppliers and Price of 5-(3-Nitrophenyl)-4H-1,2,4-triazol-3-amine

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-(3-nitrophenyl)-1H-1,2,4-triazol-5-amine
100mg
$ 65.00

Crysdot
5-(3-Nitrophenyl)-4H-1,2,4-triazol-3-amine 97%
1g
$ 357.00

American Custom Chemicals Corporation
3-(3-NITROPHENYL)-1H-1,2,4-TRIAZOL-5-AMINE 95.00%
5MG
$ 495.14

AK Scientific
5-(3-Nitrophenyl)-4H-1,2,4-triazol-3-amine
5g
$ 934.00

Total 10 raw suppliers

Chemical Property of 5-(3-Nitrophenyl)-4H-1,2,4-triazol-3-amine

Chemical Property:

Vapor Pressure:2.99E-10mmHg at 25°C
Melting Point:276 °C
Boiling Point:503.1°C at 760 mmHg
PKA:9.88±0.40(Predicted)
Flash Point:258.1°C
PSA：114.14000
Density:1.535
LogP:1.41540
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:205.05997448
Heavy Atom Count:15
Complexity:244

Purity/Quality:

97% ^*data from raw suppliers

3-(3-nitrophenyl)-1H-1,2,4-triazol-5-amine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NN2)N

Technology Process of 5-(3-Nitrophenyl)-4H-1,2,4-triazol-3-amine

There total 5 articles about 5-(3-Nitrophenyl)-4H-1,2,4-triazol-3-amine 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: 81.4%

: 10308-82-4
aminoguanidine nitrate

: 121-92-6
3-nitrobenzoic acid

: 59301-20-1
3-(3-nitrophenyl)-1H-1,2,4-triazol-5-amine

Guidance literature:: aminoguanidine nitrate; With sodium hydroxide; In methanol; at 20 ℃; for 3h; Inert atmosphere;

3-nitrobenzoic acid; With N-ethyl-N,N-diisopropylamine; 1,1'-carbonyldiimidazole; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 3h; Inert atmosphere;

Reference yield:

: 618-94-0
3-nitrobenzoic acid hydrazide

: 59301-20-1
3-(3-nitrophenyl)-1H-1,2,4-triazol-5-amine

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydroxide / 72 h / 20 °C

2: water / 180 °C / Microwave irradiation

With sodium hydroxide; In water;
DOI:10.1016/j.ejmech.2013.06.051

Reference yield:

: 121-90-4
m-nitrobenzoic acid chloride

: 59301-20-1
3-(3-nitrophenyl)-1H-1,2,4-triazol-5-amine

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydroxide / 0.33 h / 180 °C

2: water / 180 °C / Microwave irradiation

With sodium hydroxide; In water;
DOI:10.1016/j.ejmech.2013.06.051