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4-Methylphenoxyacetonitrile - 97%, high purity , CAS No.33901-44-9

COA

Grade & Purity:

≥97%

Cas Number: 33901-44-9
Molecular Weight: 147.178
PubChem CID: 520657
PubChem SID: 488190070

In stock

Item Number

P169700

Grouped product items
SKU	Size	Availability	Price
P169700-1g	1g	5	$55.90
P169700-5g	5g	5	$172.90
P169700-25g	25g	5	$584.90

Basic Description

Synonyms	4-Methylphenoxyacetonitrile \| 33901-44-9 \| 2-(4-methylphenoxy)acetonitrile \| 2-(p-tolyloxy)acetonitrile \| MFCD00068121 \| 2-(4-methylphenoxy)ethanenitrile \| (4-methylphenoxy)acetonitrile \| (p-methylphenoxy)-acetonitrile \| SCHEMBL3357599 \| GOCOKJDTFHEYKP-UHFFFAOYSA- \| DTXSID00
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

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 Toluenes Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Toluene - 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

Names and Identifiers

Pubchem Sid	488190070
IUPAC Name	2-(4-methylphenoxy)acetonitrile
INCHI	InChI=1S/C9H9NO/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,7H2,1H3
InChIKey	GOCOKJDTFHEYKP-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)OCC#N
Isomeric SMILES	CC1=CC=C(C=C1)OCC#N
PubChem CID	520657
Molecular Weight	147.178

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
C23161351	Certificate of Analysis	Mar 21, 2023	P169700
C23161510	Certificate of Analysis	Mar 21, 2023	P169700
C2506156	Certificate of Analysis	Mar 21, 2023	P169700
C23161464	Certificate of Analysis	Mar 21, 2023	P169700
C23161478	Certificate of Analysis	Mar 21, 2023	P169700
C23161477	Certificate of Analysis	Mar 21, 2023	P169700
C23161489	Certificate of Analysis	Mar 21, 2023	P169700

Chemical and Physical Properties

Boil Point(°C)	76-78°/11mm
Melt Point(°C)	42-44°C
Molecular Weight	147.170 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
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	150.000
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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