5-(Chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole

Base Information

Chemical Name:5-(Chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
CAS No.:57611-19-5
Molecular Formula:C9H6ClN3O3
Molecular Weight:239.618
Hs Code.:2934999090
European Community (EC) Number:865-440-5
DSSTox Substance ID:DTXSID50502903
Mol file:57611-19-5.mol

Synonyms:5-(chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole;57611-19-5;5-Chloromethyl-3-(4-nitro-phenyl)-[1,2,4]oxadiazole;MFCD00452243;SCHEMBL10936153;DTXSID50502903;AKOS005350706;AB06014;AS-37260;SY014214;FT-0767413;EN300-35178;A13433;Z330887764

Suppliers and Price of 5-(Chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole

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

Crysdot
5-(Chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole 95+%
5g
$ 328.00

Crysdot
5-(Chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole 95+%
10g
$ 527.00

American Custom Chemicals Corporation
5-CHLOROMETHYL-3-(4-NITRO-PHENYL)-[1,2,4]OXADIAZOLE 95.00%
5G
$ 1168.42

American Custom Chemicals Corporation
5-CHLOROMETHYL-3-(4-NITRO-PHENYL)-[1,2,4]OXADIAZOLE 95.00%
2.5G
$ 983.88

American Custom Chemicals Corporation
5-CHLOROMETHYL-3-(4-NITRO-PHENYL)-[1,2,4]OXADIAZOLE 95.00%
1G
$ 721.57

Alichem
5-(Chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
5g
$ 571.34

AK Scientific
5-(Chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
5g
$ 515.00

Total 15 raw suppliers

Chemical Property of 5-(Chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:86-88 °C
Refractive Index:1.596
Boiling Point:408.125°C at 760 mmHg
PKA:-3.42±0.37(Predicted)
Flash Point:200.627°C
PSA：84.74000
Density:1.466g/cm³
LogP:2.90680
Storage Temp.:2-8°C
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:239.0097688
Heavy Atom Count:16
Complexity:253

Purity/Quality:

99%, ^*data from raw suppliers

5-(Chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=NOC(=N2)CCl)[N+](=O)[O-]

Technology Process of 5-(Chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole

There total 4 articles about 5-(Chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole 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: 65.0%

: 111457-49-9
C₉H₈ClN₃O₄

: 57611-19-5
5-(chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole

Guidance literature:: In xylene; for 3h; Heating;

Reference yield:

: C₉H₈ClN₃O₄

: 57611-19-5
5-(chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole

Guidance literature:: In toluene; for 5h; Reflux;
DOI:10.1016/j.ejmech.2015.04.002

Reference yield:

: 192332-48-2
N'-hydroxy-4-nitrobenzimidamide

: 57611-19-5
5-(chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole

Guidance literature:: Multi-step reaction with 2 steps

1: 82 percent / NEt₃ / CHCl₃

2: 65 percent / xylene / 3 h / Heating

With triethylamine; In chloroform; xylene;