Skip to the beginning of the images gallery

2-Cyanobenzophenone - 97%, high purity , CAS No.37774-78-0

COA

Grade & Purity:

≥97%

Cas Number: 37774-78-0
Molecular Weight: 207.23
MDL number: MFCD00672032
PubChem CID: 3652775

In stock

Item Number

C469141

Grouped product items
SKU	Size	Availability	Price
C469141-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$127.90
C469141-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$254.90
C469141-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$767.90

Basic Description

Synonyms	DTXSID70394685 \| MFCD00672032 \| SCHEMBL1200740 \| AKOS015913198 \| InChI=1/C14H9NO/c15-10-12-8-4-5-9-13(12)14(16)11-6-2-1-3-7-11/h1-9 \| 2-Cyanobenzophenone, 97% \| 2-Benzoylbenzonitrile \| 2-benzoyl-benzonitrile \| 2-Cyanobenzophenone \| 2-CYANOBENZOPHENONE 97
Specifications & Purity	≥97%
Product Description	Product Describtion: 2-Cyanobenzophenone, also known as 2-benzoylbenzonitrile, is a carbonyl-ene-nitrile compound. Its crystal structure belongs to the monoclinic space group,P21/c. 2-Cyanobenzophenone reacts with furan to form the corresponding adduct. Its reduction under electrochemical condition led to the formation of 2-t-butylbenzophenone, 3-t-butyl-3-phenylphthalide and 6-t-butyl-3-phenylphthalide.2-Cyanobenzophenone (2-benzoylbenzonitrile) may be used in the preparation of 3-phenyl-3H-isobenzofuran-1-ylidenamine. Product Application: 2-Cyanobenzophenone (2-benzoylbenzonitrile) may be used in the preparation of 3-phenyl-3H-isobenzofuran-1-ylidenamine.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzophenones
Intermediate Tree Nodes	Not available
Direct Parent	Benzophenones
Alternative Parents	Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Benzonitriles Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzonitrile - Aryl ketone - Benzoyl - Ketone - Nitrile - Carbonitrile - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
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-benzoylbenzonitrile
INCHI	InChI=1S/C14H9NO/c15-10-12-8-4-5-9-13(12)14(16)11-6-2-1-3-7-11/h1-9H
InChIKey	XPBIJHFBORWDCM-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C#N
Isomeric SMILES	C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C#N
WGK Germany	3
Molecular Weight	207.23
Reaxy-Rn	2836193
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2836193&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	82-87 °C
Molecular Weight	207.230 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	207.068 Da
Monoisotopic Mass	207.068 Da
Topological Polar Surface Area	40.900 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	295.000
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