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2，5-Dichloro-4-(1，1，2，3，3，3-hexafluoropropoxy)aniline - ≥95%, high purity , CAS No.103015-84-5

COA

Grade & Purity:

≥95%

Cas Number: 103015-84-5
Molecular Weight: 328.04
PubChem CID: 9862220

In stock

Item Number

D710378

Grouped product items
SKU	Size	Availability	Price
D710378-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$23.90
D710378-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$57.90
D710378-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$280.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes
      - Level5 Chlorobenzenes
        Level6 Dichlorobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Chlorobenzenes
Direct Parent	Dichlorobenzenes
Alternative Parents	Phenoxy compounds Phenol ethers Aniline and substituted anilines Aryl chlorides Primary amines Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - 1,4-dichlorobenzene - Aniline or substituted anilines - Phenol ether - Aryl chloride - Aryl halide - Alkyl fluoride - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
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	2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)aniline
INCHI	InChI=1S/C9H5Cl2F6NO/c10-3-2-6(4(11)1-5(3)18)19-9(16,17)7(12)8(13,14)15/h1-2,7H,18H2
InChIKey	PIANCHDAVNRLDV-UHFFFAOYSA-N
Smiles	C1=C(C(=CC(=C1Cl)OC(C(C(F)(F)F)F)(F)F)Cl)N
Isomeric SMILES	C1=C(C(=CC(=C1Cl)OC(C(C(F)(F)F)F)(F)F)Cl)N
PubChem CID	9862220
Molecular Weight	328.04

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	328.030 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	326.965 Da
Monoisotopic Mass	326.965 Da
Topological Polar Surface Area	35.300 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	316.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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