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4-Chloro-2,5-difluorobenzonitrile - 97%, high purity , CAS No.135748-35-5

COA

Grade & Purity:

≥97%

Cas Number: 135748-35-5
Molecular Weight: 173.55
PubChem CID: 11275302
PubChem SID: 504766240

In stock

Item Number

C587068

Grouped product items
SKU	Size	Availability	Price
C587068-1g	1g	3	$15.90
C587068-5g	5g	3	$62.90
C587068-25g	25g	2	$296.90
C587068-100g	100g	1	$976.90

Basic Description

Synonyms	Benzonitrile, 4-chloro-2,5-difluoro- \| Z1198169530 \| MFCD06659464 \| AKOS006294608 \| DTXSID10460818 \| SY111621 \| EN300-3256112 \| AC-228 \| 4-CHLORO-2,5-DIFLUOROBENZONITRILE \| DS-14146 \| CL8209 \| FT-0602485 \| 2,5-difluoro-4-chloro-benzonitrile \| BCP06184 \| A
Specifications & Purity	≥97%
Storage Temp	Desiccated
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 Chlorobenzenes Aryl fluorides Aryl chlorides Nitriles Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Carbonitrile - Nitrile - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic nitrogen 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	504766240
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504766240
IUPAC Name	4-chloro-2,5-difluorobenzonitrile
INCHI	InChI=1S/C7H2ClF2N/c8-5-2-6(9)4(3-11)1-7(5)10/h1-2H
InChIKey	OMVDTUXOHXQKML-UHFFFAOYSA-N
Smiles	C1=C(C(=CC(=C1F)Cl)F)C#N
Isomeric SMILES	C1=C(C(=CC(=C1F)Cl)F)C#N
Alternate CAS	135748-35-5
Molecular Weight	173.55
Reaxy-Rn	14085830
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14085830&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
K2303296	Certificate of Analysis	Oct 08, 2023	C587068
K2303294	Certificate of Analysis	Oct 08, 2023	C587068
K2303298	Certificate of Analysis	Oct 08, 2023	C587068
K2303291	Certificate of Analysis	Oct 08, 2023	C587068
K2303286	Certificate of Analysis	Oct 08, 2023	C587068
K2303287	Certificate of Analysis	Oct 08, 2023	C587068
K2303297	Certificate of Analysis	Oct 08, 2023	C587068
K2303290	Certificate of Analysis	Oct 08, 2023	C587068

Chemical and Physical Properties

Molecular Weight	173.550 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	172.984 Da
Monoisotopic Mass	172.984 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	188.000
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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