Skip to the beginning of the images gallery

2,5-Difluoro-4-methoxybenzonitrile - 98%, high purity , CAS No.1007605-44-8

COA

Grade & Purity:

≥98%

Cas Number: 1007605-44-8
Molecular Weight: 169.13
PubChem CID: 3833161
PubChem SID: 488194592

In stock

Item Number

D578705

Grouped product items
SKU	Size	Availability	Price
D578705-250mg	250mg	5	$10.90
D578705-1g	1g	5	$25.90
D578705-5g	5g	5	$44.90
D578705-25g	25g	2	$163.90

Basic Description

Synonyms	2,5-difluoro-4-methoxybenzonitrile \| 1007605-44-8 \| MFCD06246886 \| Benzonitrile, 2,5-difluoro-4-methoxy- \| SCHEMBL11963120 \| DTXSID80397061 \| CK1055 \| AKOS005255150 \| CS-W017726 \| PS-8721 \| SY025756 \| FT-0715911 \| A897346
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	Phenoxy compounds Methoxybenzenes Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Nitriles Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Ether - Nitrile - Carbonitrile - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic oxygen 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	488194592
IUPAC Name	2,5-difluoro-4-methoxybenzonitrile
INCHI	InChI=1S/C8H5F2NO/c1-12-8-3-6(9)5(4-11)2-7(8)10/h2-3H,1H3
InChIKey	WQQDILMHKBTFNR-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C(=C1)F)C#N)F
Isomeric SMILES	COC1=C(C=C(C(=C1)F)C#N)F
Molecular Weight	169.13
Reaxy-Rn	23305041
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23305041&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.

8 results found

Lot Number	Certificate Type	Date	Item
C2317878	Certificate of Analysis	Feb 28, 2023	D578705
C2317985	Certificate of Analysis	Feb 28, 2023	D578705
C2317988	Certificate of Analysis	Feb 28, 2023	D578705
C2317924	Certificate of Analysis	Feb 28, 2023	D578705
C2317880	Certificate of Analysis	Feb 28, 2023	D578705
C2317925	Certificate of Analysis	Feb 28, 2023	D578705
C2317979	Certificate of Analysis	Feb 28, 2023	D578705
C2317936	Certificate of Analysis	Feb 28, 2023	D578705

Chemical and Physical Properties

Molecular Weight	169.130 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	169.034 Da
Monoisotopic Mass	169.034 Da
Topological Polar Surface Area	33.000 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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration