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3,6-Difluoro-2-trifluoromethylpyridine - 95%, high purity , CAS No.1099597-92-8

COA

Grade & Purity:

≥95%

Cas Number: 1099597-92-8
Molecular Weight: 183.08
MDL number: MFCD10699122
PubChem CID: 37859500

In stock

Item Number

D299765

Grouped product items
SKU	Size	Availability	Price
D299765-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$61.90
D299765-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$152.90
D299765-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$684.90
D299765-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,080.90

Basic Description

Synonyms	3,6-Difluoro-2-(trifluoromethyl)pyridine \| 1099597-92-8 \| 3,6-Difluoro-2-trifluoromethylpyridine \| 3,6-Difluoro-2-trifluoromethyl-pyridine \| MFCD10699122 \| SCHEMBL15901219 \| DTXSID80653371 \| GOFPGPTXLNVIQI-UHFFFAOYSA-N \| ZTB59792 \| BBL100823 \| STL554617 \| AKOS005255234 \| MS-2008
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Halopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Halopyridines
Intermediate Tree Nodes	Not available
Direct Parent	Polyhalopyridines
Alternative Parents	2-halopyridines Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Polyhalopyridine - 2-halopyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organic nitrogen 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 polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
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	3,6-difluoro-2-(trifluoromethyl)pyridine
INCHI	InChI=1S/C6H2F5N/c7-3-1-2-4(8)12-5(3)6(9,10)11/h1-2H
InChIKey	GOFPGPTXLNVIQI-UHFFFAOYSA-N
Smiles	C1=CC(=NC(=C1F)C(F)(F)F)F
Isomeric SMILES	C1=CC(=NC(=C1F)C(F)(F)F)F
Molecular Weight	183.08
Reaxy-Rn	27578215
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27578215&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	139-142°
Molecular Weight	183.080 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	183.011 Da
Monoisotopic Mass	183.011 Da
Topological Polar Surface Area	12.900 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	157.000
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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