3-(2-chloroacetyl)-1H-Indole-5-carbonitrile

Base Information

Chemical Name:3-(2-chloroacetyl)-1H-Indole-5-carbonitrile
CAS No.:115027-08-2
Molecular Formula:C₁₁H₇ClN₂O
Molecular Weight:218.642
Hs Code.:2933998090
DSSTox Substance ID:DTXSID10577556
Wikidata:Q82467593
Mol file:115027-08-2.mol

Synonyms:115027-08-2;3-(2-chloroacetyl)-1H-Indole-5-carbonitrile;1H-Indole-5-carbonitrile, 3-(chloroacetyl)- (9CI);3-(2-chloroacetyl)-5-cyanoindole;3-(Chloroacetyl)-1H-indole-5-carbonitrile;SCHEMBL8808423;DTXSID10577556;BLEBTHHPYINQMI-UHFFFAOYSA-N;AKOS027395498;CS-16544;CS-0100124;D76080

Suppliers and Price of 3-(2-chloroacetyl)-1H-Indole-5-carbonitrile

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

ChemScene
3-(2-Chloroacetyl)-1H-indole-5-carbonitrile 95.38%
5g
$ 1105.00

ChemScene
3-(2-Chloroacetyl)-1H-indole-5-carbonitrile 95.38%
1g
$ 365.00

ChemScene
3-(2-Chloroacetyl)-1H-indole-5-carbonitrile 95.38%
250mg
$ 182.00

ChemScene
3-(2-Chloroacetyl)-1H-indole-5-carbonitrile 95.38%
100mg
$ 108.00

Apolloscientific
3-(2-Chloroacetyl)-1H-indole-5-carbonitrile >98%
5g
$ 1665.00

Total 5 raw suppliers

Chemical Property of 3-(2-chloroacetyl)-1H-Indole-5-carbonitrile

Chemical Property:

Boiling Point:459.8±30.0 °C(Predicted)
PKA:13.70±0.30(Predicted)
PSA：56.65000
Density:1.41±0.1 g/cm3(Predicted)
LogP:2.46108
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:218.0246905
Heavy Atom Count:15
Complexity:309

Purity/Quality:

97% ^*data from raw suppliers

3-(2-Chloroacetyl)-1H-indole-5-carbonitrile 95.38% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=C1C#N)C(=CN2)C(=O)CCl

Technology Process of 3-(2-chloroacetyl)-1H-Indole-5-carbonitrile

There total 1 articles about 3-(2-chloroacetyl)-1H-Indole-5-carbonitrile 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: 54.0%

: 15861-24-2,142396-06-3
1H-indole-5-carbonitrile

: 79-04-9
chloroacetyl chloride

: 115027-08-2
3-(2-chloroacetyl)-1H-indole-5-carbonitrile

Guidance literature:: chloroacetyl chloride; With aluminum (III) chloride; In dichloromethane; at 0 ℃; for 0.5h;

1H-indole-5-carbonitrile; In dichloromethane; at 20 ℃; for 2h;