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724645

Sigma-Aldrich

3-Ethynylbenzoic acid

95%

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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

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN9101
MKCG2207
MKBZ5821V
MKBR8630V
MKBP2213V

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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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