3-Indoleacetonitrile
Synonym(s):(3-Indolyl)acetonitrile;3-(Cyanomethyl)indole;IAN;Indolylacetonitrile;NSC 523272
- CAS NO.：771-51-7
- Empirical Formula: C10H8N2
- Molecular Weight: 156.18
- MDL number: MFCD00005628
- EINECS: 212-232-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-12-22 14:18:24
What is 3-Indoleacetonitrile?
Chemical properties
clear yellow-brown to brown liquid after melting
The Uses of 3-Indoleacetonitrile
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
What are the applications of Application
3-Indoleacetonitrile is a plant growth activator
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.
Properties of 3-Indoleacetonitrile
| 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 |
| Flash point: | >230 °F |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | Chloroform, DMSO (Slightly), Methanol (Slightly) |
| form | Liquid |
| pka | 16.32±0.30(Predicted) |
| color | Clear colorless to yellow |
| BRN | 125488 |
| 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) |
Safety information for 3-Indoleacetonitrile
| Signal word | Danger |
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H312:Acute toxicity,dermal H332:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P321:Specific treatment (see … on this label). P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
Computed Descriptors for 3-Indoleacetonitrile
| InChIKey | DMCPFOBLJMLSNX-UHFFFAOYSA-N |
New Products
Indole Methyl Resin tert-butyl 9-methoxy-3-azaspiro[5.5]undecane-3-carboxylate Boc-His(Boc)-OH 2-CTC Resin 4-Chloro-7-tosy1-7Hpyrrolo[2,3-d]pyrimidine 5,7-Dibromo-1H-indole 2,5-dichloro-N-hydroxy-4,6-dimethylpyridine-3-carboximidamide 2,2-Dimethoxy-7-azaspiro[3.5]nonane hydrochloride 4-chloromethyl-5-methyl-1,3-dioxol-2-one (DMDO-Cl) R-2-BENZYLOXY PROPIONIC ACID 1,1’-CARBONYLDIIMIDAZOLE 1,1’-CARBONYLDI (1,2-4 TRIAZOLE) N-METHYL INDAZOLE-3-CARBOXYLIC ACID 4-((2-hydroxyethyl)thio)benzoic acid 1-(TERT-BUTOXYCARBONYL)-2-PYRROLIDINONE Methyl 6-methylnicotinate 3-Pyridineacrylic acid tert-Butyl carbazate TETRAHYDRO-2H-PYRAN-3-OL 2-((4-morpholinophenylamino) (methylthio) methylene) malononitrile 3-(4-morpholinophenylamino)-5-amino-1H-pyrazole-4-carbonitrile 2,4-dihydroxybenzaldehyde 1,3-Diethyl-1,3-Diphenylurea Methyl 2-methylquinoline-6-carboxylateRelated products of tetrahydrofuran
You may like
-
771-51-7 3-Indoleacetonitrile 98%View Details
771-51-7 -
771-51-7 99%View Details
771-51-7 -
3-Indoleacetonitrile CAS 771-51-7View Details
771-51-7 -
3-Indoleacetonitrile CAS 771-51-7View Details
771-51-7 -
3-Indoleacetonitrile CAS 771-51-7View Details
771-51-7 -
Pyridine 99.5% HPLC /UV SpectroscopyView Details
110-86-1 -
Dibutyl PhthalateView Details
84-74-2 -
Thiourea 99% ARView Details
62-56-6
Statement: All products displayed on this website are only used for non medical purposes such as industrial applications or scientific research, and cannot be used for clinical diagnosis or treatment of humans or animals. They are not medicinal or edible.