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| | 3-Indoleacetonitrile Basic information |
| | 3-Indoleacetonitrile Chemical Properties |
| Melting point | 33-36 °C(lit.) | | Boiling point | 157-160 °C0.2 mm Hg(lit.) | | density | 1.1566 (rough estimate) | | refractive index | 1.6085-1.6105 | | Fp | >230 °F | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | Chloroform, DMSO (Slightly), Methanol (Slightly) | | pka | 16.32±0.30(Predicted) | | form | Liquid | | color | Clear colorless to yellow | | BRN | 125488 | | InChIKey | DMCPFOBLJMLSNX-UHFFFAOYSA-N | | CAS DataBase Reference | 771-51-7(CAS DataBase Reference) | | NIST Chemistry Reference | 1H-Indole-3-acetonitrile(771-51-7) | | EPA Substance Registry System | 1H-Indole-3-acetonitrile (771-51-7) |
| Hazard Codes | Xn,Xi | | Risk Statements | 20/21/22 | | Safety Statements | 36/37 | | RIDADR | 3276 | | WGK Germany | 3 | | RTECS | AM0700000 | | Hazard Note | Irritant | | TSCA | Yes | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29339990 |
| | 3-Indoleacetonitrile Usage And Synthesis |
| Chemical Properties | clear yellow-brown to brown liquid after melting | | Uses | Reactant for preparation of:
- Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators
- Histone deacetylase inhibitors
- Potential kinase inhibitors
- Kv7/KCNQ potassium channel activators
- Kinesin-Specific MKLP-2 Inhibitor
- Pesticides
- Potential PET cancer imaging agents
- Agonists of the Farnesoid X Receptor (FXR) as atherosclerosis treatment
- Butyrylcholinesterase inhibitors
- Necroptosis inhibitors
| | Definition | ChEBI: A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 1H-indol-3-yl group. | | Synthesis Reference(s) | Canadian Journal of Chemistry, 39, p. 1340, 1961 DOI: 10.1139/v61-169
Journal of the American Chemical Society, 75, p. 3589, 1953 DOI: 10.1021/ja01110a506 | | General Description | 3-Indoleacetonitrile (Indolylacetonitrile) is a light-induced auxin-inhibitory substance that is isolated from light-grown cabbage (Brassica olearea L.) shoots. It inhibits the biofilm formation of both E. coli O157:H7 and P. aeruginosa without affecting its growth. |
| | 3-Indoleacetonitrile Preparation Products And Raw materials |
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