Skip to the beginning of the images gallery

3-Cyano-5-hydroxy-[1，1-biphenyl]-3-carboxylic acid - ≥95%, high purity , CAS No.1258637-09-0

COA

Grade & Purity:

≥95%

Cas Number: 1258637-09-0
Molecular Weight: 239.23
PubChem CID: 53225053

In stock

Item Number

C733287

Grouped product items
SKU	Size	Availability	Price
C733287-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$134.90
C733287-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$216.90
C733287-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$520.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Biphenylcarbonitriles
Alternative Parents	Hydroxybenzoic acid derivatives Benzoic acids Benzoyl derivatives Benzonitriles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Nitriles Carboxylic acids Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Biphenylcarbonitrile - Hydroxybenzoic acid - Benzoic acid or derivatives - Benzoic acid - Benzonitrile - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid derivative - Carboxylic acid - Nitrile - Carbonitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl 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	3-(3-cyanophenyl)-5-hydroxybenzoic acid
INCHI	InChI=1S/C14H9NO3/c15-8-9-2-1-3-10(4-9)11-5-12(14(17)18)7-13(16)6-11/h1-7,16H,(H,17,18)
InChIKey	QYZVOMJDXIGJQH-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)C2=CC(=CC(=C2)O)C(=O)O)C#N
Isomeric SMILES	C1=CC(=CC(=C1)C2=CC(=CC(=C2)O)C(=O)O)C#N
PubChem CID	53225053
Molecular Weight	239.23

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	239.230 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	239.058 Da
Monoisotopic Mass	239.058 Da
Topological Polar Surface Area	81.300 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	359.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

3-Cyano-5-hydroxy-[1，1-biphenyl]-3-carboxylic acid - ≥95%, high purity , CAS No.1258637-09-0

Basic Description