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About This Item
Empirical Formula (Hill Notation):
C13H15NO2
CAS Number:
Molecular Weight:
217.26
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Assay
97%
refractive index
n20/D 1.543 (lit.)
bp
201 °C (lit.)
density
1.07 g/mL at 25 °C (lit.)
SMILES string
CC(C)(C)OC(=O)n1ccc2ccccc12
InChI
1S/C13H15NO2/c1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14/h4-9H,1-3H3
InChI key
OWPIFQXNMLDXKW-UHFFFAOYSA-N
Application
Reactant for preparation of:
- Potent plant-growth inhibitors
- Cannabinoid CB2 receptor ligands
- Analogues of isomeridianin G and evaluation as GSK-3β inhibitors
- Inhibitor of the Yersinia pestis salicylate adenylation domain YbtE
- Cholecystokinin-2 receptor antagonists
- Antileishmanial agents
- Reactant for:
- Palladium-catalyzed Suzuki-Miyaura cross coupling reactions
- Friedel-Crafts alkylation reactions
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
160.0 °F - closed cup
Flash Point(C)
71.1 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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