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5-Chloro-2-(4-chlorophenoxy)anilinium chloride , CAS No.6259-39-8

COA COA
  • Cas Number:  6259-39-8
  • Molecular Weight:  290.6
  • PubChem CID: 80414
In stock
Item Number
C667980
Grouped product items
SKU Size
Availability
 Price Qty
C667980-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$999.90
C667980-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,999.90
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Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Synonyms 5-Chloro-2-(4-chlorophenoxy)anilinium chloride | 5-chloro-2-(4-chlorophenoxy)aniline hydrochloride | Benzenamine, 5-chloro-2-(4-chlorophenoxy)-, hydrochloride | MLS000565207 | 5-chloro-2-(4-chlorophenoxy)aniline;hydrochloride | SMR000152375 | EINECS 228-4

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Diphenylethers
Intermediate Tree Nodes Not available
Direct Parent Diphenylethers
Alternative Parents Diarylethers  Phenoxy compounds  Phenol ethers  Aniline and substituted anilines  Chlorobenzenes  Aryl chlorides  Primary amines  Organopnictogen compounds  Organochlorides  Hydrochlorides  Hydrocarbon derivatives  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Diphenylether - Diaryl ether - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Ether - Amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors Not available

Associated Targets(Human)

CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CYP2C19 Tchem Cytochrome P450 2C19 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SMN1 Tchem Survival motor neuron protein (34246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
XBP1 Tchem X-box-binding protein 1 (1001 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Luciferin 4-monooxygenase (66902 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FTL Ferritin light chain (43324 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Ddit3 DNA damage-inducible transcript 3 protein (953 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 5-chloro-2-(4-chlorophenoxy)aniline;hydrochloride
INCHI InChI=1S/C12H9Cl2NO.ClH/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15;/h1-7H,15H2;1H
InChIKey BYVKKIVAXSTEHI-UHFFFAOYSA-N
Smiles C1=CC(=CC=C1OC2=C(C=C(C=C2)Cl)N)Cl.Cl
Isomeric SMILES C1=CC(=CC=C1OC2=C(C=C(C=C2)Cl)N)Cl.Cl
PubChem CID 80414
Molecular Weight 290.6

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

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

Chemical and Physical Properties

Molecular Weight 290.600 g/mol
XLogP3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 288.983 Da
Monoisotopic Mass 288.983 Da
Topological Polar Surface Area 35.300 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 219.000
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 2

Solution Calculators

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