2,5-Bis(4-bromoanilino)-3,6-dichlorocyclohexa-2,5-diene-1,4-dione

Base Information

Chemical Name:2,5-Bis(4-bromoanilino)-3,6-dichlorocyclohexa-2,5-diene-1,4-dione
CAS No.:29001-49-8
Molecular Formula:C18H10 Br2 Cl2 N2 O2
Molecular Weight:516.9982
Hs Code.:
NSC Number:102176
DSSTox Substance ID:DTXSID70295466
Nikkaji Number:J2.736.427F
Wikidata:Q82035409
ChEMBL ID:CHEMBL2261740
Mol file:29001-49-8.mol

Synonyms:29001-49-8;NSC102176;2,5-bis(4-bromoanilino)-3,6-dichlorocyclohexa-2,5-diene-1,4-dione;CHEMBL2261740;DTXSID70295466;NSC-102176

Suppliers and Price of 2,5-Bis(4-bromoanilino)-3,6-dichlorocyclohexa-2,5-diene-1,4-dione

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

Total 3 raw suppliers

Chemical Property of 2,5-Bis(4-bromoanilino)-3,6-dichlorocyclohexa-2,5-diene-1,4-dione

Chemical Property:

Vapor Pressure:8.23E-12mmHg at 25°C
Boiling Point:542°C at 760 mmHg
Flash Point:281.6°C
Density:1.89g/cm³
XLogP3:6.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:515.84656
Heavy Atom Count:26
Complexity:594

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)Br)Cl)Br

Technology Process of 2,5-Bis(4-bromoanilino)-3,6-dichlorocyclohexa-2,5-diene-1,4-dione

There total 2 articles about 2,5-Bis(4-bromoanilino)-3,6-dichlorocyclohexa-2,5-diene-1,4-dione 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: 90.0%

: 118-75-2
chloranil

: 106-40-1
4-bromo-aniline

: 29001-49-8
2,5-bis-(4-bromo-anilino)-3,6-dichloro-[1,4]benzoquinone

Guidance literature:: With silica gel; for 0.025h; Microwave irradiation; neat (no solvent);

Reference yield:

: 29001-49-8
2,5-bis-(4-bromo-anilino)-3,6-dichloro-[1,4]benzoquinone

Guidance literature:: /BRN= 3519357/;

Reference yield: 67.0%

: 12354-84-6,12354-85-7
bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]

: 29001-49-8
2,5-bis-(4-bromo-anilino)-3,6-dichloro-[1,4]benzoquinone

: [(η5-C5Me5)2Ir2(μ-2,5-bis(4'-bromoanilino)-3,6-dichloro-1,4-benzoquinone)Cl2]

Guidance literature:: With NEt₃; In dichloromethane; under N2; to a stirred suspn. of a ligand (0.1 mmol) and excess NEt3 in CH2Cl2 was added r-contg. compd. (0.1 mmol); stirring for 10 h; the mixt. was filtered; the solvent was evapd. to dryness under vac.; the compd. was washed with H2O; elem. anal.;
DOI:10.1021/om900160t