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4-(Trifluoromethylthio)benzonitrile - 97%, high purity , CAS No.332-26-3

COA

Grade & Purity:

≥97%

Cas Number: 332-26-3
Molecular Weight: 203.18
PubChem CID: 2779343

In stock

Item Number

T169634

Grouped product items
SKU	Size	Availability	Price	Qty
T169634-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
T169634-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$104.90

Discover 4-(Trifluoromethylthio)benzonitrile by Aladdin Scientific in 97% for only $29.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-(Trifluoromethylthio)benzonitrile \| 332-26-3 \| 4-(trifluoromethylsulfanyl)benzonitrile \| 4-[(trifluoromethyl)sulfanyl]benzonitrile \| 4-((trifluoromethyl)thio)benzonitrile \| 4-[(Trifluoromethyl)thio]benzonitrile \| MFCD00039475 \| 4-TRIFLUOROMETHYLSULFANYL-BENZONITRILE \|
Specifications & Purity	≥97%
Storage Temp	Room temperature
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	Thiophenol ethers Alkylarylthioethers Trihalomethanes Sulfenyl compounds Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Aryl thioether - Thiophenol ether - Alkylarylthioether - Trihalomethane - Carbonitrile - Nitrile - Thioether - Sulfenyl compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organopnictogen compound - Organic nitrogen compound - Halomethane - Hydrocarbon derivative - 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	4-(trifluoromethylsulfanyl)benzonitrile
INCHI	InChI=1S/C8H4F3NS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H
InChIKey	ONQNILXHGUBPPM-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C#N)SC(F)(F)F
Isomeric SMILES	C1=CC(=CC=C1C#N)SC(F)(F)F
WGK Germany	3
PubChem CID	2779343
Molecular Weight	203.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	203.190 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	203.002 Da
Monoisotopic Mass	203.002 Da
Topological Polar Surface Area	49.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	209.000
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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