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(3-Cyanophenoxy)acetic acid - 98%, high purity , CAS No.1879-58-9

COA

Grade & Purity:

≥98%

Cas Number: 1879-58-9
Molecular Weight: 177.2
PubChem CID: 12222268

In stock

Item Number

C182351

Grouped product items
SKU	Size	Availability	Price
C182351-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$115.90
C182351-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$365.90
C182351-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,643.90

Discover (3-Cyanophenoxy)acetic acid by Aladdin Scientific in 98% for only $115.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	(3-Cyanophenoxy)acetic Acid \| 1879-58-9 \| 2-(3-cyanophenoxy)acetic acid \| Acetic acid, 2-(3-cyanophenoxy)- \| MFCD00516888 \| (3-Cyanophenoxy)aceticAcid \| 3-cyanophenoxyacetic acid \| SCHEMBL3190220 \| 2-(3-cyanophenoxy) acetic acid \| DTXSID60481154 \| UXBVJOUILGIGHW-UHFFFAOYSA-N
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenoxyacetic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Phenoxyacetic acid derivatives
Alternative Parents	Phenoxy compounds Phenol ethers Benzonitriles Alkyl aryl ethers Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxyacetate - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
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

IUPAC Name	2-(3-cyanophenoxy)acetic acid
INCHI	InChI=1S/C9H7NO3/c10-5-7-2-1-3-8(4-7)13-6-9(11)12/h1-4H,6H2,(H,11,12)
InChIKey	UXBVJOUILGIGHW-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)OCC(=O)O)C#N
Isomeric SMILES	C1=CC(=CC(=C1)OCC(=O)O)C#N
Molecular Weight	177.2
Reaxy-Rn	2580953
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2580953&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	177.160 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	177.043 Da
Monoisotopic Mass	177.043 Da
Topological Polar Surface Area	70.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	230.000
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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