4-Amino-2,6-dichlorophenol - ≥98% , CAS No.5930-28-9

CAS: 5930-28-9 Cat. No.: A102328 Formula: C₆H₅Cl₂NO Peso molecolare: 178.02 Beilstein Registry Number: 13512 Numero EC: 227-671-4

QUALITÀ & PUREZZA ≥98%

Synonyms

F1196-0334 | EINECS 227-671-4 | SY046976 | 4-HYDROXY-3,5-DICHLOROANILINE | C10H12O3 | 3,5-Dichloro-4-hydroxyaniline | Q27280208 | MFCD00007875 | Tox21_301640 | UNII-I0L4CSX5N0 | W-105332 | 2,6-Dichloro-p-aminophenol | AS-10946 | I0L4CSX5N0 | 4-Amino-2,6-d

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifiche

Sinonimi

F1196-0334 | EINECS 227-671-4 | SY046976 | 4-HYDROXY-3,5-DICHLOROANILINE | C10H12O3 | 3,5-Dichloro-4-hydroxyaniline | Q27280208 | MFCD00007875 | Tox21_301640 | UNII-I0L4CSX5N0 | W-105332 | 2,6-Dichloro-p-aminophenol | AS-10946 | I0L4CSX5N0 | 4-Amino-2,6-d

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488185808

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185808

Sorrisi canonici

C1=C(C=C(C(=C1Cl)O)Cl)N

IUPAC Name

4-amino-2,6-dichlorophenol

InChIKey

KGEXISHTCZHGFT-UHFFFAOYSA-N

INCHI

1S/C6H5Cl2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2

Isomeri SMILES

C1=C(C=C(C(=C1Cl)O)Cl)N

WGK Germania

3

RTECS

SJ5774500

Peso molecolare

178.02

Beilstein

13512

Reaxy-Rn

2361665

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2361665&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: p-Aminophenols O-chlorophenols Aniline and substituted anilines Aryl chlorides Primary amines Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenol - P-aminophenol - 1,3-dichlorobenzene - Aniline or substituted anilines - 2-halophenol - 2-chlorophenol - Phenol - Aryl chloride - Aryl halide - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Data sources

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

Obiettivi associati (umani)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Sensibilità: Light sensitive; Air sensitive
• Punto di fusione (°C): 167-170°C
• Peso molecolare: 178.010 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 176.975 Da
• Monoisotopic Mass: 176.975 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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