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2，5-Difluoro-4-hydrazinylbenzonitrile - ≥95%, high purity , CAS No.129946-63-0

COA

Grade & Purity:

≥95%

Cas Number: 129946-63-0
Molecular Weight: 169.13
PubChem CID: 10920925

In stock

Item Number

D725228

Grouped product items
SKU	Size	Availability	Price
D725228-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$212.90
D725228-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$529.90
D725228-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,792.90
D725228-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,117.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylhydrazines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylhydrazines
Alternative Parents	Benzonitriles Fluorobenzenes Aryl fluorides Nitriles Organofluorides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Phenylhydrazine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Nitrile - Carbonitrile - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrazine derivative - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group.
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	2,5-difluoro-4-hydrazinylbenzonitrile
INCHI	InChI=1S/C7H5F2N3/c8-5-2-7(12-11)6(9)1-4(5)3-10/h1-2,12H,11H2
InChIKey	PCCAOKUPWXCHHG-UHFFFAOYSA-N
Smiles	C1=C(C(=CC(=C1F)NN)F)C#N
Isomeric SMILES	C1=C(C(=CC(=C1F)NN)F)C#N
PubChem CID	10920925
Molecular Weight	169.13

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)	159-161°
Molecular Weight	169.130 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	169.045 Da
Monoisotopic Mass	169.045 Da
Topological Polar Surface Area	61.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	200.000
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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