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1-(4-Chlorophenyl)Cyclopentanecarbonitrile - ≥98%, high purity , CAS No.64399-26-4

COA

Grade & Purity:

≥98%

Cas Number: 64399-26-4
EC Number: 264-870-5
PubChem CID: 97384

In stock

Item Number

C695276

Grouped product items
SKU	Size	Availability	Price	Qty
C695276-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,058.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Chlorobenzenes
Alternative Parents	Aryl chlorides Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Chlorobenzene - Aryl halide - Aryl chloride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
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	1-(4-chlorophenyl)cyclopentane-1-carbonitrile
INCHI	InChI=1S/C12H12ClN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h3-6H,1-2,7-8H2
InChIKey	TXVNBTOIDITCBF-UHFFFAOYSA-N
Smiles	C1CCC(C1)(C#N)C2=CC=C(C=C2)Cl
Isomeric SMILES	C1CCC(C1)(C#N)C2=CC=C(C=C2)Cl
Alternate CAS	64399-26-4
PubChem CID	97384
NSC Number	119928

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	205.680 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	205.066 Da
Monoisotopic Mass	205.066 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	238.000
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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