3-Iodo-5-nitrotoluene

Base Information

Chemical Name:3-Iodo-5-nitrotoluene
CAS No.:123158-78-1
Molecular Formula:C7H6INO2
Molecular Weight:263.03
Hs Code.:2904909090
European Community (EC) Number:886-882-5
Mol file:123158-78-1.mol

Synonyms:3-Iodo-5-nitrotoluene;123158-78-1;1-iodo-3-methyl-5-nitrobenzene;SCHEMBL5289451;VIGIBQJFOYFDSH-UHFFFAOYSA-N;MFCD15144646;Benzene, 1-iodo-3-methyl-5-nitro-;1-IODO-3-METHYL-5-NITROBENZENE;DA-20517;CS-0214808;EN300-195334

Suppliers and Price of 3-Iodo-5-nitrotoluene

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
1-Iodo-3-methyl-5-nitrobenzene
100mg
$ 220.00

Alichem
3-Iodo-5-nitrotoluene
1g
$ 1760.00

Alichem
3-Iodo-5-nitrotoluene
5g
$ 6156.33

AK Scientific
3-Iodo-5-nitrotoluene
5g
$ 3051.00

AK Scientific
3-Iodo-5-nitrotoluene
250mg
$ 397.00

Total 7 raw suppliers

Chemical Property of 3-Iodo-5-nitrotoluene

Chemical Property:

PSA：45.82000
LogP:3.03100
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:262.94433
Heavy Atom Count:11
Complexity:157

Purity/Quality:

98%min ^*data from raw suppliers

1-Iodo-3-methyl-5-nitrobenzene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=CC(=C1)I)[N+](=O)[O-]

Technology Process of 3-Iodo-5-nitrotoluene

There total 5 articles about 3-Iodo-5-nitrotoluene 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: 36.0%

: 27329-27-7
4-methyl-2-nitrobenzoic acid

: 123158-78-1
1-iodo-3-methyl-5-nitrobenzene

Guidance literature:: With copper(I) oxide; potassium phosphate; bismuth (III) nitrate pentahydrate; palladium(II) trifluoroacetate; oxygen; sodium iodide; In dimethyl sulfoxide; at 170 ℃; for 10h; regioselective reaction; Schlenk technique; Green chemistry;
DOI:10.1021/acs.orglett.9b00460