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Key Documents

724645

Sigma-Aldrich

3-Ethynylbenzoic acid

95%

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About This Item

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

Quality Level

Assay

95%

form

powder

mp

164-171 °C

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

Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Storage Class Code

11 - Combustible Solids

WGK

nwg


Certificates of Analysis (COA)

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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

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