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2-(3，4-Dichlorophenyl)-4-fluoroaniline - ≥95%, high purity , CAS No.877179-04-9

COA

Grade & Purity:

≥95%

Cas Number: 877179-04-9
Molecular Weight: 256.11
PubChem CID: 11572419

In stock

Item Number

F726114

Grouped product items
SKU	Size	Availability	Price	Qty
F726114-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$459.90
F726114-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,394.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives
      - Level5 Chlorinated biphenyls
        Level6 Polychlorinated biphenyls

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Chlorinated biphenyls
Direct Parent	Polychlorinated biphenyls
Alternative Parents	Dichlorobenzenes Aniline and substituted anilines Fluorobenzenes Aryl fluorides Aryl chlorides Primary amines Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Polychlorinated biphenyl - 1,2-dichlorobenzene - Aniline or substituted anilines - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Organohalogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - Organochloride - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as polychlorinated biphenyls. These are organic compounds containing at least two chlorine atoms attached to either benzene ring of the biphenyl moiety.
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-(3,4-dichlorophenyl)-4-fluoroaniline
INCHI	InChI=1S/C12H8Cl2FN/c13-10-3-1-7(5-11(10)14)9-6-8(15)2-4-12(9)16/h1-6H,16H2
InChIKey	QUVGVAKQHNJQNN-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C2=C(C=CC(=C2)F)N)Cl)Cl
Isomeric SMILES	C1=CC(=C(C=C1C2=C(C=CC(=C2)F)N)Cl)Cl
PubChem CID	11572419
Molecular Weight	256.11

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	256.100 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	255.002 Da
Monoisotopic Mass	255.002 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	239.000
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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