3-Indoleacetonitrile

Catalog Number	ACM771517-1
CAS Number	771-51-7
Structure
Synonyms	Indole-3-acetonitrile
IUPAC Name	2-(1H-Indol-3-yl)acetonitrile
Molecular Weight	156.18
Molecular Formula	C10H8N2
Canonical SMILES	C1=CC=C2C(=C1)C(=CN2)CC#N
InChI	InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
InChI Key	DMCPFOBLJMLSNX-UHFFFAOYSA-N
Purity	98%+ (HPLC)
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	203
Exact Mass	156.068748264
Heavy Atom Count	12
Monoisotopic Mass	156.068748264
Topological Polar Surface Area	39.6Ų

Custom Q&A

What is the CAS number for 3-Indoleacetonitrile?

The CAS number for 3-Indoleacetonitrile is 771-51-7.

What is the molecular formula of 3-Indoleacetonitrile?

The molecular formula of 3-Indoleacetonitrile is C10H8N2.

What is the melting point of 3-Indoleacetonitrile?

The melting point of 3-Indoleacetonitrile is 33-36 °C.

What are some synonyms for 3-Indoleacetonitrile?

Some synonyms for 3-Indoleacetonitrile include Indole-3-acetonitrile, NSC 523272, and Beta-Indolylacetonitrile.

What are the hazard codes associated with 3-Indoleacetonitrile?

The hazard codes for 3-Indoleacetonitrile are Xn and Xi.

What are some potential uses of 3-Indoleacetonitrile?

3-Indoleacetonitrile can be used as a reactant for the preparation of tryptophan dioxygenase inhibitors, histone deacetylase inhibitors, potential kinase inhibitors, and pesticides, among others.

What is the storage recommendation for 3-Indoleacetonitrile?

3-Indoleacetonitrile should be kept in a dark place, sealed in dry conditions, at room temperature.

How can 3-Indoleacetonitrile be synthesized?

3-Indoleacetonitrile can be synthesized according to references in the Canadian Journal of Chemistry and the Journal of the American Chemical Society.

What is the safety statement associated with 3-Indoleacetonitrile?

The safety statement for 3-Indoleacetonitrile is 36/37.

What is the chemical property of 3-Indoleacetonitrile after melting?

After melting, 3-Indoleacetonitrile appears as a clear yellow-brown to brown liquid.

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