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About This Item
Linear Formula:
C6H5OC6H4CN
CAS Number:
Molecular Weight:
195.22
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
Recommended Products
Assay
96%
mp
42-46 °C (lit.)
functional group
nitrile
phenoxy
SMILES string
N#Cc1ccc(Oc2ccccc2)cc1
InChI
1S/C13H9NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H
InChI key
UYHCIOZMFCLUDP-UHFFFAOYSA-N
Gene Information
human ... MMP3(4314)
General description
4-Phenoxybenzonitrile can be prepared from the tris(3,6-dioxaheptyl)amine-catalyzed nucleophilic aromatic substitution reaction of 4-chlorobenzonitrile with phenol. It can also be prepared by reacting 4-cyanophenol, iodobenzene and CsF/Clinoptilolite (CsF/CP) in DMSO.
Application
4-Phenoxybenzonitrile may be used to synthesize 5-(4-phenoxy)phenyltetrazole.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
230.0 °F - closed cup
Flash Point(C)
110 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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CsF/clinoptilolite: an efficient solid base in SNAr and copper-catalyzed Ullmann reactions.
Keipour H, et al.
Canadian Journal of Chemistry, 94(1), 95-104 (2015)
Tris (polyoxaalkyl) amines (trident), a new class of solid-liquid phase-transfer catalysts.
Soula G.
The Journal of Organic Chemistry, 50(20), 3717-3721 (1985)
Gaston H Vondenhoff et al.
Chembiochem : a European journal of chemical biology, 13(13), 1959-1969 (2012-08-01)
In 1998, Cubist Pharmaceuticals patented a series of aminoacyl tRNA synthetase (aaRS) inhibitors based on aminoacyl sulfamoyladenosines (aaSAs), in which the adenine was substituted by aryl-tetrazole moieties linked to the ribose fragment by a two-carbon spacer. Although potent and specific
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