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3-Phenoxypropionitrile - 98%, high purity , CAS No.3055-86-5

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3-Phenoxypropionitrile - 98%, high purity , CAS No.3055-86-5

COA

Grade & Purity:

≥98%

Cas Number: 3055-86-5
Molecular Weight: 147.18
Beilstein Registry Number: 6(3)616
MDL number: MFCD00013822
PubChem CID: 76456

In stock

Item Number

P160082

Grouped product items
SKU	Size	Availability	Price
P160082-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$12.90
P160082-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$46.90
P160082-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$209.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	A820431 \| MFCD00013822 \| NSC-108215 \| J-018011 \| M.G. 8926 [AS HYDROCHLORIDE] \| SCHEMBL38671 \| STL355193 \| 3-Phenoxypropiononitrile \| 3-phenoxypropanenitrile \| NSC 108215 \| EINECS 221-278-1 \| EN300-16183 \| TS-01924 \| Sermetacinum \| 7516K9UGUG \| beta-Pheno
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	3-Phenoxypropionitrile is an aryl nitrile that can be synthesized by the reaction of acrylonitrile with phenol, catalyzed by (IPr)Cu(OPh) (IPr=1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene; Ph=phenyl).

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - 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 phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3-phenoxypropanenitrile
INCHI	InChI=1S/C9H9NO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
InChIKey	IXAUFLAHUXISCH-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)OCCC#N
Isomeric SMILES	C1=CC=C(C=C1)OCCC#N
WGK Germany	3
PubChem CID	76456
Molecular Weight	147.18
Beilstein	6(3)616
Reaxy-Rn	2207704

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
E2522552	Certificate of Analysis	Nov 16, 2024	P160082
E2522553	Certificate of Analysis	Nov 16, 2024	P160082
E2522558	Certificate of Analysis	Nov 16, 2024	P160082
E2522559	Certificate of Analysis	Nov 16, 2024	P160082
E2522560	Certificate of Analysis	Nov 16, 2024	P160082
E2522561	Certificate of Analysis	Nov 16, 2024	P160082

Chemical and Physical Properties

Solubility	Slightly soluble in Methanol
Boil Point(°C)	120°C/2mmHg(lit.)
Melt Point(°C)	58-63 °C
Molecular Weight	147.170 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	147.068 Da
Monoisotopic Mass	147.068 Da
Topological Polar Surface Area	33.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	141.000
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

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