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3-Chloro-2-fluorophenylacetonitrile - 98%, high purity , CAS No.261762-98-5

COA

Grade & Purity:

≥98%

Cas Number: 261762-98-5
Molecular Weight: 169.58
PubChem CID: 2773724
PubChem SID: 488193541

In stock

Item Number

C192393

Grouped product items
SKU	Size	Availability	Price
C192393-250mg	250mg	3	$9.90
C192393-1g	1g	5	$19.90
C192393-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$94.90

Discover 3-Chloro-2-fluorophenylacetonitrile by Aladdin Scientific in 98% for only $9.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	3-Chloro-2-fluorophenylacetonitrile \| 261762-98-5 \| 3-chloro-2-fluorobenzyl cyanide \| 2-(3-chloro-2-fluorophenyl)acetonitrile \| Benzeneacetonitrile, 3-chloro-2-fluoro- \| (3-Chloro-2-fluoro-phenyl)-acetonitrile \| MFCD01631552 \| SCHEMBL2744577 \| AMY3006 \| DTXSID60378671 \| LJHV
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzyl cyanides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl cyanides
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl cyanides
Alternative Parents	Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Nitriles Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyl-cyanide - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Carbonitrile - Nitrile - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group.
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	488193541
IUPAC Name	2-(3-chloro-2-fluorophenyl)acetonitrile
INCHI	InChI=1S/C8H5ClFN/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3H,4H2
InChIKey	LJHVKGPLTKDUFW-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)Cl)F)CC#N
Isomeric SMILES	C1=CC(=C(C(=C1)Cl)F)CC#N
Molecular Weight	169.58
Reaxy-Rn	14504341
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14504341&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
D2024011	Certificate of Analysis	Feb 19, 2024	C192393
F2313034	Certificate of Analysis	Jun 27, 2023	C192393
F2313041	Certificate of Analysis	Jun 27, 2023	C192393

Chemical and Physical Properties

Molecular Weight	169.580 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	169.009 Da
Monoisotopic Mass	169.009 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	174.000
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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