3,4,5,6-Tetrafluoro-3-nitrocyclohexa-1,5-diene-1-carbonyl chloride

Base Information

Chemical Name:3,4,5,6-Tetrafluoro-3-nitrocyclohexa-1,5-diene-1-carbonyl chloride
CAS No.:103772-10-7
Molecular Formula:C₇ClF₄NO₃
Molecular Weight:257.529
Hs Code.:
DSSTox Substance ID:DTXSID00700750
Mol file:103772-10-7.mol

Synonyms:DTXSID00700750;3,4,5,6-tetrafluoro-3-nitrocyclohexa-1,5-diene-1-carbonyl chloride

Suppliers and Price of 3,4,5,6-Tetrafluoro-3-nitrocyclohexa-1,5-diene-1-carbonyl chloride

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

American Custom Chemicals Corporation
5-NITRO-2,3,4,5-TETRAFLUORO BENZOYL CHLORIDE 95.00%
5MG
$ 501.97

Total 13 raw suppliers

Chemical Property of 3,4,5,6-Tetrafluoro-3-nitrocyclohexa-1,5-diene-1-carbonyl chloride

Chemical Property:

Vapor Pressure:0.00265mmHg at 25°C
Refractive Index:1.507
Boiling Point:286.4°Cat760mmHg
Flash Point:127°C
PSA：62.89000
Density:1.781g/cm³
LogP:3.05340
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:258.9659333
Heavy Atom Count:16
Complexity:430

Purity/Quality:

99% ^*data from raw suppliers

5-NITRO-2,3,4,5-TETRAFLUORO BENZOYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C(=C(C(C1([N+](=O)[O-])F)F)F)F)C(=O)Cl

Technology Process of 3,4,5,6-Tetrafluoro-3-nitrocyclohexa-1,5-diene-1-carbonyl chloride

There total 3 articles about 3,4,5,6-Tetrafluoro-3-nitrocyclohexa-1,5-diene-1-carbonyl chloride 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:

: 79-37-8
oxalyl dichloride

: 16583-08-7
2,3,4,5-tetrafluoro-6-nitrobenzoic acid

: 103772-10-7
2,3,4,5-tetrafluoro-6-nitro-benzoyl chloride

Guidance literature:: In dichloromethane; N,N-dimethyl-formamide;

Reference yield:

: 16583-08-7
2,3,4,5-tetrafluoro-6-nitrobenzoic acid

: 103772-10-7
2,3,4,5-tetrafluoro-6-nitro-benzoyl chloride

Guidance literature:: With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; for 16h;
DOI:10.1021/jm00107a039

Reference yield:

: 1201-31-6
2,3,4,5-tetrafluorobenzoic acid

: 103772-10-7
2,3,4,5-tetrafluoro-6-nitro-benzoyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1: 35 percent / fuming HNO₃, H₂SO₄ / 5.5 h / 70 °C

2: oxalyl chloride, DMF / CH₂Cl₂ / 16 h

With oxalyl dichloride; sulfuric acid; nitric acid; N,N-dimethyl-formamide; In dichloromethane;
DOI:10.1021/jm00107a039