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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
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
Signal Word
Warning
Hazard Statements
Precautionary 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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