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2-chloro-6-hydroxybenzonitrile - 97%, high purity , CAS No.89999-90-6

COA

Grade & Purity:

≥97%

Cas Number: 89999-90-6
Molecular Weight: 153.57
PubChem CID: 4407995

In stock

Item Number

C178101

Grouped product items
SKU	Size	Availability	Price
C178101-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$16.90
C178101-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$58.90
C178101-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$105.90

Discover 2-chloro-6-hydroxybenzonitrile by Aladdin Scientific in 97% for only $16.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-chloro-6-hydroxybenzonitrile \| 89999-90-6 \| Benzonitrile, 2-chloro-6-hydroxy- \| MFCD01646165 \| 3-CHLORO-2-CYANOPHENOL \| 2-cyano-3-chlorophenol \| SCHEMBL2336330 \| DTXSID40402948 \| QAZAWPCTVDEZCT-UHFFFAOYSA-N \| BBL100677 \| CL8890 \| STL554471 \| AKOS005255027 \| AM61697 \| CCG-302550 \| PB
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

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	M-chlorophenols Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Nitriles Organooxygen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - 3-halophenol - 3-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - 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 - Cyanide - 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

IUPAC Name	2-chloro-6-hydroxybenzonitrile
INCHI	InChI=1S/C7H4ClNO/c8-6-2-1-3-7(10)5(6)4-9/h1-3,10H
InChIKey	QAZAWPCTVDEZCT-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)Cl)C#N)O
Isomeric SMILES	C1=CC(=C(C(=C1)Cl)C#N)O
Molecular Weight	153.57
Reaxy-Rn	2639229
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2639229&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	153.560 g/mol
XLogP3	2.300
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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