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2,3-Difluorobenzonitrile - 98%, high purity , CAS No.21524-39-0

COA

Grade & Purity:

≥98%

Cas Number: 21524-39-0
Molecular Weight: 139.1
Beilstein Registry Number: 2085621
EC Number: 244-418-3
MDL number: MFCD00009976
PubChem CID: 88935
PubChem SID: 488186533

In stock

Item Number

D123964

Grouped product items
SKU	Size	Availability	Price
D123964-1g	1g	5	$18.90
D123964-5g	5g	4	$51.90
D123964-25g	25g	2	$230.90
D123964-100g	100g	2	$831.90

View related series

Non heterocyclic fluorine-containing block (1408) Synthetic block (741)

Basic Description

Synonyms	D3500 \| DTXSID40175862 \| DS-14682 \| 2,3-Difluorobenzonitrile, 98% \| difluorobenzonitrile \| FT-0609613 \| AM61398 \| BBL104063 \| EINECS 244-418-3 \| 2,3-Difluorobenzonitril \| SY009085 \| STL557877 \| MFCD00009976 \| 1,2-difluoro-3-cyano-benzene \| 2.3-difluoro be
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	Product Describtion: Electronic transitions of 2,3-difluorobenzonitrile has been studied by photoacoustic spectroscopy. Product Application: 2,3-Difluorobenzonitrile has been used in the preparation of difluorophenyl-1,2,3,5-dithiadiazolyl and cyanophenoxazines.

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

Names and Identifiers

Pubchem Sid	488186533
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186533
IUPAC Name	2,3-difluorobenzonitrile
INCHI	InChI=1S/C7H3F2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H
InChIKey	GKPHNZYMLJPYJJ-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)F)F)C#N
Isomeric SMILES	C1=CC(=C(C(=C1)F)F)C#N
WGK Germany	3
Molecular Weight	139.1
Beilstein	2085621
Reaxy-Rn	2085621
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2085621&ln=

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

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

Analytical Chart:

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11 results found

Lot Number	Certificate Type	Date	Item
B2528202	Certificate of Analysis	Jun 19, 2024	D123964
D23131182	Certificate of Analysis	Nov 07, 2022	D123964
D23131216	Certificate of Analysis	Nov 07, 2022	D123964
D23131201	Certificate of Analysis	Nov 07, 2022	D123964
D23131184	Certificate of Analysis	Nov 07, 2022	D123964
D2314454	Certificate of Analysis	Nov 07, 2022	D123964
K1821119	Certificate of Analysis	Sep 19, 2022	D123964
K1821118	Certificate of Analysis	Sep 19, 2022	D123964
K1821117	Certificate of Analysis	Sep 19, 2022	D123964
G1809122	Certificate of Analysis	May 13, 2022	D123964
G1809123	Certificate of Analysis	May 13, 2022	D123964

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Chemical and Physical Properties

Refractive Index	1.4860 - 1.4900
Flash Point(°F)	167 °F
Flash Point(°C)	75°C
Boil Point(°C)	187-188°C
Molecular Weight	139.100 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	139.023 Da
Monoisotopic Mass	139.023 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	160.000
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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