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4-Formyl-3-hydroxybenzonitrile - 98%, high purity , CAS No.84102-89-6

COA

Grade & Purity:

≥98%

Cas Number: 84102-89-6
Molecular Weight: 147.13
PubChem CID: 12813648

In stock

Item Number

F590287

Grouped product items
SKU	Size	Availability	Price
F590287-100mg	100mg	3	$85.90
F590287-250mg	250mg	2	$176.90
F590287-1g	1g	2	$411.90

Basic Description

Synonyms	EC-000.1788 \| DTXSID30510521 \| EN300-746373 \| SCHEMBL2466088 \| 4-Formyl-3-hydroxybenzonitrile \| 4-formyl-3-hydroxy-Benzonitrile \| FT-0703223 \| AC-22663 \| MFCD08361770 \| DZETWSGVBUVPMH-UHFFFAOYSA-N \| SY025920 \| Z1198177235 \| Q-101066 \| 5-Cyano-2-formylphen
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 Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Aldehydes
        Level6 Aryl-aldehydes
        Level7 Benzaldehydes
        Level8 Hydroxybenzaldehydes

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Aldehydes - Aryl-aldehydes - Benzaldehydes
Direct Parent	Hydroxybenzaldehydes
Alternative Parents	Benzoyl derivatives Benzonitriles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Hydroxybenzaldehyde - Benzonitrile - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Carbonitrile - Nitrile - Organic nitrogen compound - Organic oxide - Cyanide - Organonitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
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-formyl-3-hydroxybenzonitrile
INCHI	InChI=1S/C8H5NO2/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3,5,11H
InChIKey	DZETWSGVBUVPMH-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C#N)O)C=O
Isomeric SMILES	C1=CC(=C(C=C1C#N)O)C=O
Molecular Weight	147.13
Reaxy-Rn	4379671
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4379671&ln=

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

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Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
I2321769	Certificate of Analysis	Sep 04, 2023	F590287
I2321771	Certificate of Analysis	Sep 04, 2023	F590287
I2321770	Certificate of Analysis	Sep 04, 2023	F590287

Chemical and Physical Properties

Molecular Weight	147.130 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	147.032 Da
Monoisotopic Mass	147.032 Da
Topological Polar Surface Area	61.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	194.000
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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