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3-Fluoro-2-trifluoromethylbenzonitrile - 96%, high purity , CAS No.261951-81-9

COA

Grade & Purity:

≥96%

Cas Number: 261951-81-9
Molecular Weight: 189.1
PubChem CID: 2774783
PubChem SID: 488193615

In stock

Item Number

F183258

Grouped product items
SKU	Size	Availability	Price
F183258-1g	1g	≥10	$32.90
F183258-5g	5g	2	$107.90
F183258-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$444.90

Discover 3-Fluoro-2-trifluoromethylbenzonitrile by Aladdin Scientific in 96% for only $32.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	3-fluoro-2-(trifluoromethyl)benzonitrile \| 261951-81-9 \| 3-Fluoro-2-trifluoromethylbenzonitrile \| Benzonitrile, 3-fluoro-2-(trifluoromethyl)- \| MFCD01631566 \| SCHEMBL1994873 \| DTXSID90379217 \| Fluoro-2-trifluoromethyl-benzonitrile \| AKOS006228797 \| PS-8425 \| s10446 \| SY014551 \|
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Benzonitriles Fluorobenzenes Aryl fluorides Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Benzonitrile - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carbonitrile - Nitrile - Alkyl fluoride - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
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	488193615
IUPAC Name	3-fluoro-2-(trifluoromethyl)benzonitrile
INCHI	InChI=1S/C8H3F4N/c9-6-3-1-2-5(4-13)7(6)8(10,11)12/h1-3H
InChIKey	ZLFIVXFFYDWCNG-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)F)C(F)(F)F)C#N
Isomeric SMILES	C1=CC(=C(C(=C1)F)C(F)(F)F)C#N
Molecular Weight	189.1
Reaxy-Rn	10536371
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10536371&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.

3 results found

Lot Number	Certificate Type	Date	Item
L2412357	Certificate of Analysis	Dec 19, 2024	F183258
D2024009	Certificate of Analysis	Feb 21, 2024	F183258
L2216451	Certificate of Analysis	Jan 06, 2023	F183258

Chemical and Physical Properties

Molecular Weight	189.110 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	189.02 Da
Monoisotopic Mass	189.02 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	226.000
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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