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3-Methoxyphenylacetonitrile - 98%, high purity , CAS No.19924-43-7

COA

Grade & Purity:

≥98%

Cas Number: 19924-43-7
Molecular Weight: 147.17
Beilstein Registry Number: 1865539
EC Number: 243-428-5
MDL number: MFCD00001910
PubChem CID: 88310
PubChem SID: 488186488

In stock

Item Number

M120894

Grouped product items
SKU	Size	Availability	Price
M120894-5g	5g	3	$30.90
M120894-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$54.90
M120894-25g	25g	5	$97.90
M120894-100g	100g	3	$352.90
M120894-500g	500g	1	$1,585.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	NSC 143401 \| AC-23559 \| 3-methoxyphenyl acetonitrile \| CHEBI:194899 \| M2331 \| AKOS000158848 \| m-methoxybenzylcyanide \| Z285184582 \| STL168046 \| AM82829 \| EINECS 243-428-5 \| STR03186 \| SY013554 \| (3-Methoxyphenyl)acetonitrile \| (3-methoxyphenyl)-acetonitri
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl cyanides
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl cyanides
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyl-cyanide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl 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	488186488
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186488
IUPAC Name	2-(3-methoxyphenyl)acetonitrile
INCHI	InChI=1S/C9H9NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5H2,1H3
InChIKey	LXKNAUOWEJWGTE-UHFFFAOYSA-N
Smiles	COC1=CC=CC(=C1)CC#N
Isomeric SMILES	COC1=CC=CC(=C1)CC#N
WGK Germany	3
UN Number	3276
Packing Group	III
Molecular Weight	147.17
Beilstein	1865539
Reaxy-Rn	1865539
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1865539&ln=

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
G2419308	Certificate of Analysis	Apr 10, 2024	M120894
G2419309	Certificate of Analysis	Apr 10, 2024	M120894
G1414028	Certificate of Analysis	Apr 25, 2022	M120894
B2217254	Certificate of Analysis	Jan 04, 2022	M120894
D2319551	Certificate of Analysis	Jan 04, 2022	M120894
B2217280	Certificate of Analysis	Jan 04, 2022	M120894
B2217242	Certificate of Analysis	Jan 04, 2022	M120894

Chemical and Physical Properties

Refractive Index	1.5312
Flash Point(°F)	208.4 °F
Flash Point(°C)	98°(208°F)
Boil Point(°C)	278-282°C
Molecular Weight	147.170 g/mol
XLogP3	1.500
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	158.000
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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