4-Nitroindoline

Base Information

Chemical Name:4-Nitroindoline
CAS No.:84807-26-1
Molecular Formula:C8H8N2O2
Molecular Weight:164.164
Hs Code.:2933990090
European Community (EC) Number:839-328-1
DSSTox Substance ID:DTXSID80530890
Wikidata:Q72494639
Mol file:84807-26-1.mol

Synonyms:4-Nitroindoline;84807-26-1;4-NITRO-2,3-DIHYDRO-1H-INDOLE;MFCD07371624;1H-INDOLE,2,3-DIHYDRO-4-NITRO;SCHEMBL256723;DTXSID80530890;VTQFDUKXUFJCAO-UHFFFAOYSA-N;AMY38376;AKOS006285329;DS-2638;MB04561;AC-27799;EN300-80788;Q-102594;Z1198172377

Suppliers and Price of 4-Nitroindoline

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
4-Nitroindoline
250mg
$ 220.00

Matrix Scientific
4-Nitroindoline >95%
1g
$ 630.00

J&W Pharmlab
4-Nitro-2,3-dihydro-1H-indole 97%
500mg
$ 198.00

J&W Pharmlab
4-Nitro-2,3-dihydro-1H-indole 97%
250mg
$ 149.00

J&W Pharmlab
4-Nitro-2,3-dihydro-1H-indole 97%
100mg
$ 125.00

J&W Pharmlab
4-Nitro-2,3-dihydro-1H-indole 97%
50mg
$ 109.00

J&W Pharmlab
4-Nitro-2,3-dihydro-1H-indole 97%
1g
$ 298.00

J&W Pharmlab
4-Nitro-2,3-dihydro-1H-indole 97%
5g
$ 1192.00

Crysdot
4-Nitroindoline 97%
5g
$ 693.00

Crysdot
4-Nitroindoline 97%
1g
$ 238.00

Total 32 raw suppliers

Chemical Property of 4-Nitroindoline

Chemical Property:

Melting Point:185-186 °C
Boiling Point:307.586 °C at 760 mmHg
PKA:3.45±0.20(Predicted)
Flash Point:139.823 °C
PSA：57.85000
Density:1.299 g/cm³
LogP:2.22400
Storage Temp.:under inert gas (nitrogen or Argon) at 2–8 °C
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:164.058577502
Heavy Atom Count:12
Complexity:190

Purity/Quality:

99%, ^*data from raw suppliers

4-Nitroindoline ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CNC2=C1C(=CC=C2)[N+](=O)[O-]

Technology Process of 4-Nitroindoline

There total 4 articles about 4-Nitroindoline 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: 73.0%

: 52536-99-9
1-(2-chloroethyl)-2,6-dinitrobenzene

: 84807-26-1
4-nitro-2,3-dihydro-1H-indole

Guidance literature:: With hydrogenchloride; iron; In ethanol; for 2h; Heating;
DOI:10.1002/jhet.5570250202

Reference yield:

: 4769-97-5
4-nitro-1H-indoIe

: 84807-26-1
4-nitro-2,3-dihydro-1H-indole

Guidance literature:: With triethylsilane; trifluoroacetic acid; at 50 ℃; Inert atmosphere;
DOI:10.1021/jm101072y

Reference yield:

: 606-20-2
2,6-dinitrotoluene

: 84807-26-1
4-nitro-2,3-dihydro-1H-indole

Guidance literature:: Multi-step reaction with 3 steps

1: 77 percent / potassium t-butoxide / dimethylsulfoxide; 2-methyl-propan-2-ol / r.t., 5min. then 70-75 degC, 10min.

2: 74 percent / SOCl₂ / pyridine / r.t., 1h then 80 degC, 15min.

3: 73 percent / conc. HCl, Fe (filings) / ethanol / 2 h / Heating

With hydrogenchloride; thionyl chloride; potassium tert-butylate; iron; In pyridine; ethanol; dimethyl sulfoxide; tert-butyl alcohol;
DOI:10.1002/jhet.5570250202