3-Indoleacetonitrile

Base Information

Chemical Name:3-Indoleacetonitrile
CAS No.:771-51-7
Molecular Formula:C10H8N2
Molecular Weight:156.187
Hs Code.:29339990
European Community (EC) Number:212-232-1
NSC Number:523272
UNII:AG97OFW8JW
DSSTox Substance ID:DTXSID5061118
Nikkaji Number:J1.733G
Wikidata:Q27102461
Metabolomics Workbench ID:38922
ChEMBL ID:CHEMBL1812654
Mol file:771-51-7.mol

Synonyms:indole-3-acetonitrile

Suppliers and Price of 3-Indoleacetonitrile

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

Acrotein
3-Indolylacetonitrile 97%
100g
$ 99.00

AHH
3-Indoleacetonitrile 98%
250g
$ 210.00

AK Scientific
3-Indolylacetonitrile
100g
$ 161.00

AK Scientific
3-Indolylacetonitrile
1g
$ 10.00

AK Scientific
3-Indolylacetonitrile
5g
$ 20.00

AK Scientific
3-Indolylacetonitrile
5g
$ 27.00

Ambeed
2-(1H-Indol-3-yl)acetonitrile 98%
25g
$ 26.00

American Custom Chemicals Corporation
INDOLE-3-ACETONITRILE 95.00%
1G
$ 597.87

American Custom Chemicals Corporation
INDOLE-3-ACETONITRILE 95.00%
2.5G
$ 746.88

American Custom Chemicals Corporation
INDOLE-3-ACETONITRILE 95.00%
5G
$ 808.96

Total 113 raw suppliers

Chemical Property of 3-Indoleacetonitrile

Chemical Property:

Appearance/Colour:off-white crystal
Melting Point:33-36 ºC (lit.)
Refractive Index:1.6085-1.6105
Boiling Point:374.1 ºC at 760 mmHg
PKA:16.32±0.30(Predicted)
Flash Point:127.6 ºC
PSA：39.58000
Density:1.219 g/cm³
LogP:2.23398
Storage Temp.:2-8°C
Solubility.:Chloroform, DMSO (Slightly), Methanol (Slightly)
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:156.068748264
Heavy Atom Count:12
Complexity:203

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

3-Indolylacetonitrile 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi,Xn
Hazard Codes:Xn,Xi
Statements: 20/21/22
Safety Statements: 36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=CN2)CC#N
Uses Reactant for preparation of:Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulatorsHistone deacetylase inhibitorsPotential kinase inhibitorsKv7/KCNQ potassium channel activatorsKinesin-Specific MKLP-2 InhibitorPesticidesPotential PET cancer imaging agentsAgonists of the Farnesoid X Receptor (FXR) as atherosclerosis treatmentButyrylcholinesterase inhibitorsNecroptosis inhibitors

Technology Process of 3-Indoleacetonitrile

There total 58 articles about 3-Indoleacetonitrile 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: 100.0%