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2，6，7-Trichloro-3-(Trifluoromethyl)Quinoxaline - ≥97%, high purity , CAS No.281209-13-0

COA

Grade & Purity:

≥97%

Cas Number: 281209-13-0
Molecular Weight: 301.48
PubChem CID: 22341073

In stock

Item Number

T730657

Grouped product items
SKU	Size	Availability	Price	Qty
T730657-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,375.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Not available
Direct Parent	Quinoxalines
Alternative Parents	Pyrazines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinoxaline - Aryl chloride - Aryl halide - Pyrazine - Benzenoid - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
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	2,6,7-trichloro-3-(trifluoromethyl)quinoxaline
INCHI	InChI=1S/C9H2Cl3F3N2/c10-3-1-5-6(2-4(3)11)17-8(12)7(16-5)9(13,14)15/h1-2H
InChIKey	WQRJHSXHDSMZPH-UHFFFAOYSA-N
Smiles	C1=C2C(=CC(=C1Cl)Cl)N=C(C(=N2)C(F)(F)F)Cl
Isomeric SMILES	C1=C2C(=CC(=C1Cl)Cl)N=C(C(=N2)C(F)(F)F)Cl
PubChem CID	22341073
Molecular Weight	301.48

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	301.500 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	299.924 Da
Monoisotopic Mass	299.924 Da
Topological Polar Surface Area	25.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	289.000
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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