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2-Hydroxy-5-methoxybenzonitrile - 97%, high purity , CAS No.39900-63-5

COA

Grade & Purity:

≥97%

Cas Number: 39900-63-5
Molecular Weight: 149.15
EC Number: ‘809-250-2
PubChem CID: 7022529
PubChem SID: 504764669

In stock

Item Number

H588994

Grouped product items
SKU	Size	Availability	Price
H588994-250mg	250mg	3	$81.90
H588994-1g	1g	2	$87.90
H588994-5g	5g	1	$360.90

Basic Description

Synonyms	AKOS006343716 \| Benzonitrile, 2-hydroxy-5-methoxy- \| CL8170 \| 2-hydroxy-5-methoxybenzonitrile \| 2-Hydroxy-5-methoxy-benzonitrile \| SY075471 \| AS-45995 \| MB02405 \| 2-cyano-4-methoxyphenol \| AMY16420 \| SCHEMBL1119284 \| FT-0688366 \| EN300-1615134 \| ZFKRGDMEH
Specifications & Purity	≥97%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

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	4-alkoxyphenols Phenoxy compounds Methoxybenzenes Benzonitriles Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Nitriles Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Methoxyphenol - 4-alkoxyphenol - 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 - Cyanide - 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	504764669
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504764669
IUPAC Name	2-hydroxy-5-methoxybenzonitrile
INCHI	InChI=1S/C8H7NO2/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4,10H,1H3
InChIKey	ZFKRGDMEHBTPFN-UHFFFAOYSA-N
Smiles	COC1=CC(=C(C=C1)O)C#N
Isomeric SMILES	COC1=CC(=C(C=C1)O)C#N
Molecular Weight	149.15
Reaxy-Rn	2089481
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2089481&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
J2320496	Certificate of Analysis	Sep 20, 2023	H588994
J2320495	Certificate of Analysis	Sep 20, 2023	H588994
J2320494	Certificate of Analysis	Sep 20, 2023	H588994
J2320499	Certificate of Analysis	Sep 20, 2023	H588994
J2320497	Certificate of Analysis	Sep 20, 2023	H588994
J2320498	Certificate of Analysis	Sep 20, 2023	H588994

Chemical and Physical Properties

Molecular Weight	149.150 g/mol
XLogP3	1.800
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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