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1-(4-Fluorophenyl)cyclohexanecarbonitrile - 95%, high purity , CAS No.71486-43-6

COA

Grade & Purity:

≥95%

Cas Number: 71486-43-6
Molecular Weight: 203.3
PubChem CID: 736126

In stock

Item Number

F186201

Grouped product items
SKU	Size	Availability	Price	Qty
F186201-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$348.90

Basic Description

Synonyms	1-(4-Fluorophenyl)cyclohexanecarbonitrile \| 71486-43-6 \| 1-(4-fluorophenyl)cyclohexane-1-carbonitrile \| EINECS 275-515-9 \| SCHEMBL1021622 \| AMY4622 \| DTXSID00221697 \| MFCD00800617 \| AKOS009158353 \| AS-36484 \| CS-0207113 \| FT-0641351 \| EN300-205342 \| A837201 \| Z361884256
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

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	Fluorobenzenes
Alternative Parents	Aryl fluorides Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Fluorobenzene - Aryl halide - Aryl fluoride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
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-fluorophenyl)cyclohexane-1-carbonitrile
INCHI	InChI=1S/C13H14FN/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7H,1-3,8-9H2
InChIKey	CXHLRVDEACWSNN-UHFFFAOYSA-N
Smiles	C1CCC(CC1)(C#N)C2=CC=C(C=C2)F
Isomeric SMILES	C1CCC(CC1)(C#N)C2=CC=C(C=C2)F
Molecular Weight	203.3
Reaxy-Rn	21215931
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21215931&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	203.250 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	203.111 Da
Monoisotopic Mass	203.111 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	251.000
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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