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6-(Trifluoromethyl)nicotinonitrile - 97%, high purity , CAS No.216431-85-5

COA

Grade & Purity:

≥97%

Cas Number: 216431-85-5
Molecular Weight: 172.11
Beilstein Registry Number: 8199624
MDL number: MFCD03001347
PubChem CID: 2777554
PubChem SID: 504761982

In stock

Item Number

T122659

Grouped product items
SKU	Size	Availability	Price
T122659-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$18.90
T122659-250mg	250mg	2	$20.90
T122659-1g	1g	3	$63.90
T122659-5g	5g	1	$206.90
T122659-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$927.90

View related series

Pyridines (1259) Synthetic block (741)

Basic Description

Synonyms	AMY3037 \| 6-Trifluoromethylnicotinonitrile \| 6-Trifluoromethyl-nicotinonitrile \| FS-1207 \| SY001241 \| C2698 \| 6-(Trifluoromethyl)pyridine-3-carbonitrile, 97% \| 6-(Trifluoromethyl)nicotinonitrile \| GEO-02389 \| MFCD03001347 \| 3-Cyano-6-(trifluoromethyl)pyri
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass 3-pyridinecarbonitriles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	3-pyridinecarbonitriles
Intermediate Tree Nodes	Not available
Direct Parent	3-pyridinecarbonitriles
Alternative Parents	Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-pyridinecarbonitrile - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile 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	504761982
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761982
IUPAC Name	6-(trifluoromethyl)pyridine-3-carbonitrile
INCHI	InChI=1S/C7H3F3N2/c8-7(9,10)6-2-1-5(3-11)4-12-6/h1-2,4H
InChIKey	ZBLULFJVRGVQAW-UHFFFAOYSA-N
Smiles	C1=CC(=NC=C1C#N)C(F)(F)F
Isomeric SMILES	C1=CC(=NC=C1C#N)C(F)(F)F
WGK Germany	3
PubChem CID	2777554
Molecular Weight	172.11
Beilstein	8199624

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.

6 results found

Lot Number	Certificate Type	Date	Item
F2421019	Certificate of Analysis	Jun 29, 2024	T122659
G2417589	Certificate of Analysis	Jun 19, 2024	T122659
L22151150	Certificate of Analysis	Dec 29, 2022	T122659
I1419113	Certificate of Analysis	Jul 14, 2022	T122659
I1418138	Certificate of Analysis	Jul 13, 2022	T122659
C1427054	Certificate of Analysis	Jan 27, 2022	T122659

Chemical and Physical Properties

Flash Point(°F)	179.6 °F
Flash Point(°C)	82 °C
Melt Point(°C)	37-40°C
Molecular Weight	172.110 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	172.025 Da
Monoisotopic Mass	172.025 Da
Topological Polar Surface Area	36.700 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	202.000
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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