| Identification | More | [Name]
3-Indoleacetonitrile | [CAS]
771-51-7 | [Synonyms]
(1H-INDOL-3-YL)-ACETONITRILE
2-(1H-INDOL-3-YL)ACETONITRILE
3-INDOLEACETONITRILE
3-INDOLYLACETONITRILE
BETA-INDOLYLACETONITRILE
INDOLE-3-ACETONITRILE
INDOLYL-3-ACETONITRILE
1h-indole-3-acetonitrile
3-(Cyanomethyl)indole
3-Indolacetonitrile
3-indolyl-acetonitril
Acetonitrile, 3-indolyl-
beta-Indoleacetonitrile
Indoleacetonitrile
Indolylacetonitril
Indolylacetonitrile
USAF cb-29
usafcb-29
indol-3-ylacetonitrile
3-INDOLYLACETONITRILE PESTANAL, 250 MG | [EINECS(EC#)]
212-232-1 | [Molecular Formula]
C10H8N2 | [MDL Number]
MFCD00005628 | [Molecular Weight]
156.18 | [MOL File]
771-51-7.mol |
| Chemical Properties | Back Directory | [Appearance]
clear yellow-brown to brown liquid after melting | [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. ]
2-8°C
| [solubility ]
Chloroform, DMSO (Slightly), Methanol (Slightly) | [form ]
Liquid | [pka]
16.32±0.30(Predicted) | [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]
771-51-7(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves . | [RIDADR ]
3276 | [WGK Germany ]
3
| [RTECS ]
AM0700000
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29339990 |
| Hazard Information | Back Directory | [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. | [storage]
Store at -20°C |
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