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2,5-Difluorobenzonitrile - 98%, high purity , CAS No.64248-64-2

COA

Grade & Purity:

≥98%

Cas Number: 64248-64-2
Molecular Weight: 139.1
Beilstein Registry Number: 2085640
EC Number: 264-753-9
MDL number: MFCD00001777
PubChem CID: 123558

In stock

Item Number

D122739

Grouped product items
SKU	Size	Availability	Price
D122739-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$29.90
D122739-25g	25g	2	$86.90
D122739-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$311.90

View related series

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

Basic Description

Synonyms	2,5 difluorobenzonitrile \| 2,5 -difluorobenzonitrile \| 2.5-difluoro benzonitrile \| AC-4060 \| MFCD00001777 \| SB74071 \| SCHEMBL74807 \| 2,5-DIFLUORO BENZONITRILE \| 2,5-Difluorobenzonitrile \| 2,5-Difluoro-Benzonitrile \| DTXSID20214465 \| EINECS 264-753-9 \| A19
Specifications & Purity	≥98%
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

Names and Identifiers

IUPAC Name	2,5-difluorobenzonitrile
INCHI	InChI=1S/C7H3F2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
InChIKey	OJTMHIMQUQOLJV-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1F)C#N)F
Isomeric SMILES	C1=CC(=C(C=C1F)C#N)F
WGK Germany	3
Molecular Weight	139.1
Beilstein	2085640
Reaxy-Rn	2085640
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2085640&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
L2416692	Certificate of Analysis	Nov 01, 2022	D122739
L2209456	Certificate of Analysis	Nov 01, 2022	D122739
L2209346	Certificate of Analysis	Nov 01, 2022	D122739
H1420044	Certificate of Analysis	Jun 16, 2022	D122739
D1421031	Certificate of Analysis	Feb 21, 2022	D122739

Chemical and Physical Properties

Flash Point(°F)	172.4 °F
Flash Point(°C)	77°C(170°F)
Boil Point(°C)	92°C/30mmHg
Melt Point(°C)	31-35°C
Molecular Weight	139.100 g/mol
XLogP3	2.000
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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