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4-Hydroxy-3-methylbenzonitrile - 98%, high purity , CAS No.15777-70-5

COA

Grade & Purity:

≥98%

Cas Number: 15777-70-5
Molecular Weight: 133.15
EC Number: ‘871-031-2
PubChem CID: 10964560

In stock

Item Number

H587438

Grouped product items
SKU	Size	Availability	Price
H587438-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$11.90
H587438-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$35.90
H587438-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$145.90
H587438-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$653.90

Basic Description

Synonyms	A849570 \| WTTADDGUHFYGEH-UHFFFAOYSA-N \| SCHEMBL2331670 \| AKOS008140745 \| AS-19632 \| 4-cyanocresol \| AC-28624 \| Benzonitrile, 4-hydroxy-3-methyl- \| MFCD11848762 \| MB10144 \| EN300-64165 \| 4-hydroxy-3-methylbenzonitrile \| 4-hydroxy-3-methyl-benzonitrile \| 3-
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Cresols
Intermediate Tree Nodes	Not available
Direct Parent	Ortho cresols
Alternative Parents	Benzonitriles Toluenes 1-hydroxy-2-unsubstituted benzenoids Nitriles Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	O-cresol - Benzonitrile - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.
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	4-hydroxy-3-methylbenzonitrile
INCHI	InChI=1S/C8H7NO/c1-6-4-7(5-9)2-3-8(6)10/h2-4,10H,1H3
InChIKey	WTTADDGUHFYGEH-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)C#N)O
Isomeric SMILES	CC1=C(C=CC(=C1)C#N)O
Molecular Weight	133.15
Reaxy-Rn	2080019
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2080019&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	133.150 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	133.053 Da
Monoisotopic Mass	133.053 Da
Topological Polar Surface Area	44.000 Å²
Heavy Atom Count	10
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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