5,6-Difluoroindole

Base Information

Chemical Name:5,6-Difluoroindole
CAS No.:169674-01-5
Molecular Formula:C8H5F2N
Molecular Weight:153.131
Hs Code.:2933990090
European Community (EC) Number:800-085-1
DSSTox Substance ID:DTXSID10381099
Nikkaji Number:J2.135.171G
Wikidata:Q72463010
ChEMBL ID:CHEMBL4087204
Mol file:169674-01-5.mol

Synonyms:5,6-Difluoroindole;169674-01-5;5,6-difluoro-1H-indole;1H-INDOLE, 5,6-DIFLUORO-;MFCD01075212;5,6-difluoro-1H-indol;5 pound not6-Difluoroindole;SCHEMBL188052;CHEMBL4087204;DTXSID10381099;YCVSNMPGFSFANR-UHFFFAOYSA-N;BBL100796;STL554590;AKOS005063978;AC-2258;CS-W009079;MB01663;PS-6843;SY033200;AM20060362;FT-0601328;EN300-98414;A26796;D-2520;F0001-0620;Z1201620806

Suppliers and Price of 5,6-Difluoroindole

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
5,6-Difluoroindole
250mg
$ 55.00

SynQuest Laboratories
5,6-Difluoro-1H-indole
1 g
$ 39.00

SynQuest Laboratories
5,6-Difluoro-1H-indole
5 g
$ 143.00

Matrix Scientific
5,6-Difluoroindole 95%
5g
$ 149.00

Matrix Scientific
5,6-Difluoroindole 95%
1g
$ 49.00

Matrix Scientific
5,6-Difluoroindole 95%
25g
$ 516.00

Labseeker
5,6-DIFLUOROINDOLE 95
5g
$ 431.00

Crysdot
5,6-Difluoroindole 98%
10g
$ 208.00

Biosynth Carbosynth
5,6-Difluoroindole
25 g
$ 800.00

Biosynth Carbosynth
5,6-Difluoroindole
5 g
$ 250.00

Total 69 raw suppliers

Chemical Property of 5,6-Difluoroindole

Chemical Property:

Vapor Pressure:4.59E-08mmHg at 25°C
Refractive Index:1.661
Boiling Point:264.5 °C at 760 mmHg
PKA:15.56±0.30(Predicted)
Flash Point:113.8 °C
PSA：15.79000
Density:1.388 g/cm³
LogP:2.44610
Storage Temp.:Keep in dark place,Inert atmosphere,Room temperature
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:153.03900549
Heavy Atom Count:11
Complexity:151

Purity/Quality:

99% ^*data from raw suppliers

5,6-Difluoroindole ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CNC2=CC(=C(C=C21)F)F

Technology Process of 5,6-Difluoroindole

There total 8 articles about 5,6-Difluoroindole 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: 82.0%

: 847685-03-4
(4,5-difluoro-2-trimethylsilanylethynyl-phenyl)-carbamic acid methyl ester

: 169674-01-5
5,6-difluoro-1H-indole

Guidance literature:: With sodium ethanolate; In ethanol; at 70 ℃; for 14h;
DOI:10.1016/j.tetlet.2004.12.068

Reference yield: 28.0%

: [2-(4,5-difluoro-2-nitro-phenyl)-vinyl]-dimethyl-amine

: 169674-01-5
5,6-difluoro-1H-indole

Guidance literature:: palladium on charcoal; In methanol;

Reference yield:

: 3863-11-4
3,4-difluoroaniline

: 169674-01-5
5,6-difluoro-1H-indole

Guidance literature:: Multi-step reaction with 4 steps

1: 96 percent / ICl / acetic acid / 0.5 h / 20 °C

2: 89 percent / pyridine / 2 h / 0 °C

3: 94 percent / (o-tolyl)3P / Pd(OAc)2 / triethylamine / 16 h / 20 °C

4: 82 percent / EtONa / ethanol / 14 h / 70 °C

With sodium ethanolate; Iodine monochloride; tris-(o-tolyl)phosphine; palladium diacetate; In pyridine; ethanol; acetic acid; triethylamine; 3: Heck coupling;
DOI:10.1016/j.tetlet.2004.12.068