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2-(2， 6-Difluoro-3-nitrophenyl)acetonitrile - ≥98%, high purity , CAS No.1369761-62-5

COA

Grade & Purity:

≥98%

Cas Number: 1369761-62-5
Molecular Weight: 198.13
PubChem CID: 66545390

In stock

Item Number

A692544

Grouped product items
SKU	Size	Availability	Price
A692544-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$43.90
A692544-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$204.90
A692544-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$954.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Benzyl cyanides Nitroaromatic compounds Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyl-cyanide - Nitrobenzene - Nitroaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organic nitro compound - C-nitro compound - Carbonitrile - Nitrile - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Cyanide - Organofluoride - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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-(2,6-difluoro-3-nitrophenyl)acetonitrile
INCHI	InChI=1S/C8H4F2N2O2/c9-6-1-2-7(12(13)14)8(10)5(6)3-4-11/h1-2H,3H2
InChIKey	AYAXNKAHVMIFCA-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1[N+](=O)[O-])F)CC#N)F
Isomeric SMILES	C1=CC(=C(C(=C1[N+](=O)[O-])F)CC#N)F
PubChem CID	66545390
Molecular Weight	198.13

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	198.130 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	198.024 Da
Monoisotopic Mass	198.024 Da
Topological Polar Surface Area	69.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	270.000
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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