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5-chloro-2-hydroxybenzonitrile - 98%, high purity , CAS No.13589-72-5

COA

Grade & Purity:

≥98%

Cas Number: 13589-72-5
Molecular Weight: 153.57
PubChem CID: 2777420
PubChem SID: 504761975

In stock

Item Number

C419962

Grouped product items
SKU	Size	Availability	Price
C419962-1g	1g	3	$14.90
C419962-5g	5g	3	$44.90
C419962-25g	25g	3	$204.90
C419962-100g	100g	2	$794.90

Basic Description

Synonyms	5-chloro-2-hydroxybenzonitrile \| 13589-72-5 \| 4-chloro-2-cyanophenol \| MFCD00219003 \| 2-cyano-4-chlorophenol \| Benzonitrile, 5-?chloro-?2-?hydroxy- \| Benzonitrile, 5-chloro-2-hydroxy- \| 5-chloro-2-hydroxy-benzonitrile \| Benzonitrile,5-chloro-2-hydroxy- \| 5-Chlorosalicyloni
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 Benzene and substituted derivatives
    - Subclass Benzonitriles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzonitriles
Intermediate Tree Nodes	Not available
Direct Parent	Benzonitriles
Alternative Parents	P-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Nitriles Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - 4-chlorophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Phenol - Halobenzene - Aryl chloride - Aryl halide - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organochloride - 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 benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
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	504761975
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761975
IUPAC Name	5-chloro-2-hydroxybenzonitrile
INCHI	InChI=1S/C7H4ClNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H
InChIKey	XWQDMIXVAYAZGB-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1Cl)C#N)O
Isomeric SMILES	C1=CC(=C(C=C1Cl)C#N)O
Molecular Weight	153.57
Reaxy-Rn	2085712
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2085712&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
I2206695	Certificate of Analysis	Jun 16, 2025	C419962
I2206627	Certificate of Analysis	Jun 10, 2025	C419962
I2206611	Certificate of Analysis	Jun 10, 2025	C419962
I2206612	Certificate of Analysis	Jun 10, 2025	C419962
L2417321	Certificate of Analysis	Jul 01, 2022	C419962
I2206561	Certificate of Analysis	Jul 01, 2022	C419962

Chemical and Physical Properties

Molecular Weight	153.560 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	152.998 Da
Monoisotopic Mass	152.998 Da
Topological Polar Surface Area	44.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	162.000
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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