Skip to the beginning of the images gallery

2-Amino-3,5,6-Trifluoroterephthalonitrile - ≧95%, high purity , CAS No.133622-66-9

COA

Grade & Purity:

≥95%

Cas Number: 133622-66-9
Molecular Weight: 197.12
MDL number: MFCD00075468
PubChem CID: 607519

In stock

Item Number

B301140

Grouped product items
SKU	Size	Availability	Price	Qty
B301140-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$529.90
B301140-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$189.90

Discover 2-Amino-3,5,6-Trifluoroterephthalonitrile by Aladdin Scientific in ≧95% for only $189.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-Amino-3,5,6-trifluoroterephthalonitrile \| 133622-66-9 \| 2-amino-3,5,6-trifluorobenzene-1,4-dicarbonitrile \| starbld0019371 \| SCHEMBL9849624 \| DTXSID40345846 \| JJQQOCSLHWPLLT-UHFFFAOYSA-N \| MFCD00075468 \| AKOS022180836 \| AS-77152 \| 2-amino-3,5,6-trifluoro-terephthalonitrile
Specifications & Purity	≥95%
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	Aniline and substituted anilines Fluorobenzenes Aryl fluorides Nitriles Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carbonitrile - Nitrile - Amine - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - 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-amino-3,5,6-trifluorobenzene-1,4-dicarbonitrile
INCHI	InChI=1S/C8H2F3N3/c9-5-3(1-12)7(11)8(14)4(2-13)6(5)10/h14H2
InChIKey	JJQQOCSLHWPLLT-UHFFFAOYSA-N
Smiles	C(#N)C1=C(C(=C(C(=C1F)F)C#N)F)N
Isomeric SMILES	C(#N)C1=C(C(=C(C(=C1F)F)C#N)F)N
Molecular Weight	197.12
Reaxy-Rn	6925364
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6925364&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	138-140
Molecular Weight	197.120 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	197.02 Da
Monoisotopic Mass	197.02 Da
Topological Polar Surface Area	73.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	314.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration