2,3,4,5-Tetrabromo-6-methyl-6-nitrocyclohexa-2,4-dien-1-one

Base Information

Chemical Name:2,3,4,5-Tetrabromo-6-methyl-6-nitrocyclohexa-2,4-dien-1-one
CAS No.:84202-72-2
Molecular Formula:C7H3Br4NO3
Molecular Weight:468.722
Hs Code.:
DSSTox Substance ID:DTXSID90516029

Synonyms:84202-72-2;2,3,4,5-Tetrabromo-6-methyl-6-nitrocyclohexa-2,4-dien-1-one;DTXSID90516029

Suppliers and Price of 2,3,4,5-Tetrabromo-6-methyl-6-nitrocyclohexa-2,4-dien-1-one

Supply Marketing:

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

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Chemical Property of 2,3,4,5-Tetrabromo-6-methyl-6-nitrocyclohexa-2,4-dien-1-one

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:468.68054
Heavy Atom Count:15
Complexity:422

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(=C(C(=C(C1=O)Br)Br)Br)Br)[N+](=O)[O-]

Technology Process of 2,3,4,5-Tetrabromo-6-methyl-6-nitrocyclohexa-2,4-dien-1-one

There total 3 articles about 2,3,4,5-Tetrabromo-6-methyl-6-nitrocyclohexa-2,4-dien-1-one 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: 52.0%

: 576-55-6
tetrabromo-o-cresol

: 84202-72-2
6-nitro-6-methyl-2,3,4,5-tetrabromo-2,4-cyclohexadien-1-one

Guidance literature:: With nitric acid; In acetic acid; 1.) 10 min 10 deg C; 2.) 2 h 5 deg C;
DOI:10.1016/S0040-4020(01)90020-1

Reference yield:

: 95-48-7,77504-84-8
ortho-cresol

: 84202-72-2
6-nitro-6-methyl-2,3,4,5-tetrabromo-2,4-cyclohexadien-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: 81 percent / Br₂ / iron / CCl₄ / 1.) 5 h bromine introduction; 2.) 24 h room temp.

2: 52 percent / nitric acid / acetic acid / 1.) 10 min 10 deg C; 2.) 2 h 5 deg C

With bromine; nitric acid; iron; In tetrachloromethane; acetic acid;
DOI:10.1016/S0040-4020(01)90020-1