Basic Description

Synonyms	DTXSID90184949 \| MFCD00017346 \| 2-benzylsulfonylaceticacid \| SY027466 \| A876058 \| 4-Phenoxybenzonitrile, 96% \| Benzonitrile, 4-phenoxy- \| SCHEMBL378478 \| CL8218 \| FT-0634665 \| 4-Cyanodiphenyl Ether \| 4-Phenoxybenzonitrile \| AM83046 \| EN300-134589 \| P1649
Specifications & Purity	≥98%(GC)
Shipped In	Normal
Product 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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylethers
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylethers
Alternative Parents	Diarylethers Phenoxy compounds Phenol ethers Benzonitriles Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Benzonitrile - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488187967
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187967
IUPAC Name	4-phenoxybenzonitrile
INCHI	InChI=1S/C13H9NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H
InChIKey	UYHCIOZMFCLUDP-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N
Isomeric SMILES	C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N
WGK Germany	3
PubChem CID	137821
Molecular Weight	195.22
Beilstein	10(4)442
Reaxy-Rn	2578538

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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9 results found

Lot Number	Certificate Type	Date	Item
D2326921	Certificate of Analysis	May 10, 2023	P160080
D2326991	Certificate of Analysis	Mar 21, 2023	P160080
D2326912	Certificate of Analysis	Mar 21, 2023	P160080
D2326913	Certificate of Analysis	Mar 21, 2023	P160080
D2326920	Certificate of Analysis	Mar 21, 2023	P160080
D2326925	Certificate of Analysis	Mar 21, 2023	P160080
D2326929	Certificate of Analysis	Mar 21, 2023	P160080
D2326922	Certificate of Analysis	Mar 21, 2023	P160080
E1920173	Certificate of Analysis	Mar 08, 2023	P160080

Chemical and Physical Properties

Solubility	Soluble in Methanol
Flash Point(°F)	230 °F
Flash Point(°C)	110 °C
Boil Point(°C)	174 °C/4 mmHg
Melt Point(°C)	42-46 °C
Molecular Weight	195.220 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	195.068 Da
Monoisotopic Mass	195.068 Da
Topological Polar Surface Area	33.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	228.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Di Meng, Jing Xue, Yufan Zhang, Tianjiao Liu, Chuncheng Chen, Wenjing Song, Jincai Zhao. (2023) Covalent organic frameworks editing for efficient metallaphotoredox catalytic carbon–oxygen cross coupling of aryl halides with alcohols. Catalysis Science & Technology, 13 (5): (1518-1526).

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SKU	Size	Availability	Price
P160080-1g	1g	10	$13.90
P160080-5g	5g	8	$51.90
P160080-25g	25g	2	$230.90
P160080-100g	100g	1	$831.90

4-Phenoxybenzonitrile - >98.0%(GC), high purity , CAS No.3096-81-9