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2,4-Difluoro-3-methylbenzonitrile - 98%, high purity , CAS No.847502-87-8

COA

Grade & Purity:

≥98%

Cas Number: 847502-87-8
Molecular Weight: 153.13
MDL number: MFCD07777155
PubChem CID: 11344119

In stock

Item Number

D134553

Grouped product items
SKU	Size	Availability	Price
D134553-250mg	250mg	3	$148.90
D134553-1g	1g	1	$327.90
D134553-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,133.90
D134553-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,434.90

Basic Description

Synonyms	2,4-Difluoro-3-methylbenzonitrile \| 847502-87-8 \| 2,4-Difluoro-3-methyl benzonitrile \| Benzonitrile, 2,4-difluoro-3-methyl- \| MFCD07777155 \| 3-Cyano-2,6-difluorotoluene \| SCHEMBL223893 \| DTXSID30462910 \| GNNHZCHETSTMOG-UHFFFAOYSA-N \| BBL100661 \| STL554455 \| AKOS005255019 \| AM616
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	Toluenes Fluorobenzenes Aryl fluorides Nitriles Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Toluene - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - 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	2,4-difluoro-3-methylbenzonitrile
INCHI	InChI=1S/C8H5F2N/c1-5-7(9)3-2-6(4-11)8(5)10/h2-3H,1H3
InChIKey	GNNHZCHETSTMOG-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1F)C#N)F
Isomeric SMILES	CC1=C(C=CC(=C1F)C#N)F
Molecular Weight	153.13
Reaxy-Rn	12194397
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12194397&ln=

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

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

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
F1525091	Certificate of Analysis	Jan 18, 2023	D134553

Chemical and Physical Properties

Molecular Weight	153.130 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	153.039 Da
Monoisotopic Mass	153.039 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	184.000
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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