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4-Hydroxy-3-methoxybenzonitrile - ≥98.0%, high purity , CAS No.4421-08-3

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 4421-08-3
Molecular Weight: 149.15
Beilstein Registry Number: 10398
MDL number: MFCD00001820
PubChem CID: 78135
PubChem SID: 488185518

In stock

Item Number

H156992

Grouped product items
SKU	Size	Availability	Price
H156992-5g	5g	4	$19.90
H156992-25g	25g	3	$55.90
H156992-100g	100g	5	$160.90
H156992-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$722.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	2-methoxy-4-cyanophenol \| 2-methoxy-4-cyano-phenol \| FT-0618641 \| NSC 158285 \| EN300-07946 \| MFCD00000474 \| DTXSID20196070 \| J-200068 \| InChI=1/C8H7NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,1H \| Didesmethylchlorpromazine sulfoxide \| 3-methoxy-4-hydroxybenzo
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	4-Hydroxy-3-methoxybenzonitrile on treatment with sodium perborate yields 4-hydroxy-3-methoxybenzamide.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Methoxyphenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Methoxyphenols
Intermediate Tree Nodes	Not available
Direct Parent	Methoxyphenols
Alternative Parents	Phenoxy compounds Methoxybenzenes Benzonitriles Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Methoxyphenol - Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Ether - Nitrile - Carbonitrile - 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 methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
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	488185518
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185518
IUPAC Name	4-hydroxy-3-methoxybenzonitrile
INCHI	InChI=1S/C8H7NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,1H3
InChIKey	QJRWLNLUIAJTAD-UHFFFAOYSA-N
Smiles	COC1=C(C=CC(=C1)C#N)O
Isomeric SMILES	COC1=C(C=CC(=C1)C#N)O
Molecular Weight	149.15
Beilstein	10398
Reaxy-Rn	2691571
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2691571&ln=

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

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Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
J1925046	Certificate of Analysis	Aug 04, 2023	H156992
C2209051	Certificate of Analysis	Feb 14, 2022	H156992
C2209038	Certificate of Analysis	Feb 14, 2022	H156992
C2208299	Certificate of Analysis	Feb 14, 2022	H156992
C2208300	Certificate of Analysis	Feb 14, 2022	H156992
G2321075	Certificate of Analysis	Dec 24, 2021	H156992
L2123112	Certificate of Analysis	Dec 24, 2021	H156992

Chemical and Physical Properties

Melt Point(°C)	87 °C
Molecular Weight	149.150 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	149.048 Da
Monoisotopic Mass	149.048 Da
Topological Polar Surface Area	53.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	172.000
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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