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2-Fluoroterephthalonitrile - 95%, high purity , CAS No.1897-53-6

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2-Fluoroterephthalonitrile - 95%, high purity , CAS No.1897-53-6

COA

Grade & Purity:

≥95%

Cas Number: 1897-53-6
Molecular Weight: 146.12
PubChem CID: 121194

In stock

Item Number

F191791

Grouped product items
SKU	Size	Availability	Price	Qty
F191791-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$20.90
F191791-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$84.90

Basic Description

Synonyms	2-Fluoroterephthalonitrile \| 1897-53-6 \| 2-fluorobenzene-1,4-dicarbonitrile \| 3-Fluoroterephthalonitrile \| 1,4-Benzenedicarbonitrile, 2-fluoro- \| 2-Fluoro-1,4-benzenedicarbonitrile \| MFCD01657004 \| Terephthalonitrile, fluoro- \| 2-fluoro-terephthalonitrile \| SCHEMBL1797379 \|
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 Benzonitriles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzonitriles
Intermediate Tree Nodes	Not available
Direct Parent	Benzonitriles
Alternative Parents	Fluorobenzenes Aryl fluorides Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Halobenzene - 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 benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-fluorobenzene-1,4-dicarbonitrile
INCHI	InChI=1S/C8H3FN2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3H
InChIKey	DULBJBXBNLVFBI-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C#N)F)C#N
Isomeric SMILES	C1=CC(=C(C=C1C#N)F)C#N
Molecular Weight	146.12
Reaxy-Rn	8309888
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8309888&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	146.120 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	146.028 Da
Monoisotopic Mass	146.028 Da
Topological Polar Surface Area	47.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	231.000
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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