Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

724645

Sigma-Aldrich

3-Ethynylbenzoic acid

95%

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

About This Item

Empirical Formula (Hill Notation):
C9H6O2
CAS Number:
10601-99-7
Molecular Weight:
146.14
MDL number:
MFCD06658448
UNSPSC Code:
12352100
PubChem Substance ID:
329764097
NACRES:
NA.22

Quality Level

100

Assay

95%

form

powder

mp

164-171 °C

functional group

carboxylic acid

storage temp.

2-8°C

SMILES string

OC(=O)c1cccc(c1)C#C

InChI

1S/C9H6O2/c1-2-7-4-3-5-8(6-7)9(10)11/h1,3-6H,(H,10,11)

InChI key

PHPIMLZTBYCDSX-UHFFFAOYSA-N

Related Categories

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H317,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Sens. 1

Storage Class Code

11 - Combustible Solids

WGK

nwg

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCN9101
MKCG2207
MKBZ5821V
MKBR8630V
MKBP2213V

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

Vincent M Morin et al.
ChemistryOpen, 8(11), 1328-1336 (2019-11-07)
The halogen bond has previously been explored as a versatile tool in crystal engineering and anion coordination chemistry, with mechanochemical synthetic techniques having been shown to provide convenient routes towards cocrystals. In an effort to expand our knowledge on the

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