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4-Chloro-7-trifluoromethoxy-quinoline - 97%, high purity , CAS No.40516-31-2

COA

Grade & Purity:

≥97%

Cas Number: 40516-31-2
Molecular Weight: 247.6
MDL number: MFCD08063185
PubChem CID: 28242268

In stock

Item Number

B300219

Grouped product items
SKU	Size	Availability	Price
B300219-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$72.90
B300219-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90
B300219-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,088.90

Basic Description

Synonyms	4-chloro-7-(trifluoromethoxy)quinoline \| 40516-31-2 \| 4-Chloro-7-trifluoromethoxy-quinoline \| 4-CHLORO-7-TRIFLUORO METHOXYQUINOLINE \| 4-Chloro-7-trifluoromethoxyquinoline \| MFCD08063185 \| SCHEMBL9796693 \| DTXSID30651180 \| IMYQYVHUVHLCOX-UHFFFAOYSA-N \| SB37072 \| SY352570 \| AM20
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Haloquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Haloquinolines
Intermediate Tree Nodes	Not available
Direct Parent	Chloroquinolines
Alternative Parents	Phenol ethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Trihalomethanes Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chloroquinoline - Phenol ether - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Trihalomethane - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
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-chloro-7-(trifluoromethoxy)quinoline
INCHI	InChI=1S/C10H5ClF3NO/c11-8-3-4-15-9-5-6(1-2-7(8)9)16-10(12,13)14/h1-5H
InChIKey	IMYQYVHUVHLCOX-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=CN=C2C=C1OC(F)(F)F)Cl
Isomeric SMILES	C1=CC2=C(C=CN=C2C=C1OC(F)(F)F)Cl
Molecular Weight	247.6
Reaxy-Rn	1462963
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1462963&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	247.600 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	247.001 Da
Monoisotopic Mass	247.001 Da
Topological Polar Surface Area	22.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	249.000
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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