Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

206539

Sigma-Aldrich

4-Ethynylbenzonitrile

97%

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
HC≡CC6H4CN
CAS Number:
3032-92-6
Molecular Weight:
127.14
MDL number:
MFCD04974058
UNSPSC Code:
12352100
PubChem Substance ID:
24852406
NACRES:
NA.22

Quality Level

100

Assay

97%

mp

156-160 °C (lit.)

SMILES string

C#Cc1ccc(cc1)C#N

InChI

1S/C9H5N/c1-2-8-3-5-9(7-10)6-4-8/h1,3-6H

InChI key

LAGNMUUUMQJXBF-UHFFFAOYSA-N

General description

The water complexes formed with 4-ethynylbenzonitrile (4EBzN) were studied using IR-UV double resonance spectroscopy.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCL3839
MKBX2665V
MKBS4013V
MKBR4376V
MKBN7709V

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Surajit Maity et al.
The journal of physical chemistry. A, 114(32), 8337-8344 (2010-08-13)
The water complexes of 4-ethynylbenzonitrile (4EBzN) were investigated with IR-UV double resonance spectroscopy. Water interacts with the pi electron density of the C[triple bond]N group in 4EBzN, leading to the formation of a quasiplanar cyclic complex incorporating C-H...O and O-H...pi

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service