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4-Cyanobenzophenone - 97%, high purity , CAS No.1503-49-7

COA

Grade & Purity:

≥97%

Cas Number: 1503-49-7
Molecular Weight: 207.23
MDL number: MFCD00016382
PubChem CID: 73921
PubChem SID: 488184834

In stock

Item Number

C167442

Grouped product items
SKU	Size	Availability	Price
C167442-1g	1g	9	$42.90
C167442-5g	5g	9	$169.90
C167442-25g	25g	2	$772.90

Discover 4-Cyanobenzophenone by Aladdin Scientific in 97% for only $42.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	(S)-tert-butyl2-(tert-butoxycarbonylamino)-4-mercaptobutanoate \| 4-Cyanobenzophenone \| 4-Cyano-benzophenone \| AKOS015916254 \| p-Cyanobenzophenone \| 4-Cyano-benzophenon \| p-Benzoylbenzonitrile \| VD6QK8C72H \| 4-Cyanobenzophenone, 97% \| C72859 \| (4-Cyanophen
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	4-Cyanobenzophenone is a benzophenone derivative that can be prepared by treating 4-cyanobenzoyl chloride with benzene. Its reduction under electrochemical condition led to the formation of 4-t-butyl-benzophenone and 1-(4-cyanophenyl)-2,2-dimthyl-1-phenylpropan-1-ol. Its efficiency as triplet sensitizer for norbornadiene(N)→quadriciane(Q) and Q→N photoisomerization has been assessed.

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 Organopnictogen compounds 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 - Organopnictogen compound - 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

Pubchem Sid	488184834
IUPAC Name	4-benzoylbenzonitrile
INCHI	InChI=1S/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H
InChIKey	YSZWJJANSNFQMM-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C#N
Isomeric SMILES	C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C#N
WGK Germany	3
Molecular Weight	207.23
Reaxy-Rn	641181
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=641181&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
C23301098	Certificate of Analysis	Nov 02, 2022	C167442
C23301097	Certificate of Analysis	Nov 02, 2022	C167442
K2228020	Certificate of Analysis	Nov 02, 2022	C167442
K2228026	Certificate of Analysis	Nov 02, 2022	C167442
K2228021	Certificate of Analysis	Nov 02, 2022	C167442

Chemical and Physical Properties

Melt Point(°C)	110-114℃
Molecular Weight	207.230 g/mol
XLogP3	3.100
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	287.000
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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