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4-Fluoro-3-hydroxybenzonitrile - 98%, high purity , CAS No.186590-04-5

COA

Grade & Purity:

≥98%

Cas Number: 186590-04-5
Molecular Weight: 137.1
PubChem CID: 20776981
PubChem SID: 488199824

In stock

Item Number

F182327

Grouped product items
SKU	Size	Availability	Price
F182327-250mg	250mg	3	$11.90
F182327-1g	1g	≥10	$19.90
F182327-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$81.90
F182327-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$273.90

Discover 4-Fluoro-3-hydroxybenzonitrile by Aladdin Scientific in 98% for only $11.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-FLUORO-3-HYDROXYBENZONITRILE 98 \| SCHEMBL540294 \| DTXSID30609747 \| J-515368 \| AKOS005257671 \| FT-0762061 \| DS-12577 \| 5-CYANO-2-FLUOROPHENOL \| MFCD08689519 \| 4-Fluoro-3-hydroxybenzonitrile \| 4-Fluoro-3-hydroxy-benzonitrile \| AC-27965 \| SY021847 \| A21172
Specifications & Purity	≥98%
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	O-fluorophenols Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Nitriles Organooxygen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - 2-halophenol - 2-fluorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Phenol - Halobenzene - Aryl fluoride - Aryl halide - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organofluoride - 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

Pubchem Sid	488199824
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488199824
IUPAC Name	4-fluoro-3-hydroxybenzonitrile
INCHI	InChI=1S/C7H4FNO/c8-6-2-1-5(4-9)3-7(6)10/h1-3,10H
InChIKey	LKTBMKIXEOGAGF-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C#N)O)F
Isomeric SMILES	C1=CC(=C(C=C1C#N)O)F
Molecular Weight	137.1
Reaxy-Rn	8829690
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8829690&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
G2318240	Certificate of Analysis	Feb 13, 2023	F182327
E2008141	Certificate of Analysis	Feb 13, 2023	F182327
L2216431	Certificate of Analysis	Jan 04, 2023	F182327

Chemical and Physical Properties

Molecular Weight	137.110 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	137.028 Da
Monoisotopic Mass	137.028 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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