9-Chloroacridine - ≥97% , CAS No.1207-69-8

CAS: 1207-69-8 Cat. No.: C107937 Molecular Weight: 213.66 EC Number: 214-895-2

GRADE & PURITY ≥97%

Synonyms

SCHEMBL455949 | DTXSID4061622 | J-640187 | Acridine, 9-chloro- | AKOS001443923 | 9-Chloroacridine | 9-chloro-acridine | AI3-52323 | EINECS 214-895-2 | 9-Chloracridin | BCP14588 | W-108471 | A18126 | D70153 | NSC 51950 | NSC51950 | NSC-51950 | InChI=1/C13H

Storage

Room temperature

Shipped In

Normal

Overview

9-Chloroacridine was employed as chromogenic reagent in the spectrophotometric method for the quantitative determination of dapsone.It was also used in the synthesis of:

· series of novel chalcones bearing acridine moiety attached to the amino group in their ring A

· new acridine derivatives

· 9-phenoxyacridine and 4-phenoxyfuro[2,3-b]quinoline derivative

9-Chloroacridine is a chlorinated acridine compound used in spectrophotometric analyses and as a reagent for the synthesis of chalcones, acridine derivatives, and quinoline derivatives.

Specifications

Synonyms

SCHEMBL455949 | DTXSID4061622 | J-640187 | Acridine, 9-chloro- | AKOS001443923 | 9-Chloroacridine | 9-chloro-acridine | AI3-52323 | EINECS 214-895-2 | 9-Chloracridin | BCP14588 | W-108471 | A18126 | D70153 | NSC 51950 | NSC51950 | NSC-51950 | InChI=1/C13H

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488184635
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184635
• Canonical Smiles: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)Cl
• IUPAC Name: 9-chloroacridine
• InChIKey: BPXINCHFOLVVSG-UHFFFAOYSA-N
• INCHI: 1S/C13H8ClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
• Isomeric SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)Cl
• WGK Germany: 3
• Molecular Weight: 213.66
• Reaxy-Rn: 141165
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=141165&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Acridines
• Alternative Parents: Chloroquinolines Pyridines and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridine - Haloquinoline - Chloroquinoline - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring.
• 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

Associated Targets(Human)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

P2RX4 Tchem P2X purinoceptor 4 (516 Activities)

Discover Target: P2RX4

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 116-120 °C
• Molecular Weight: 213.660 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 213.035 Da
• Monoisotopic Mass: 213.035 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 209.000
• 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