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

CAS: 1207-69-8 Cat. No.: C107937 Fórmula: C₁₃H₈ClN Peso molecular: 213.66 Número CE: 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

Visão geral

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

Sinónimos

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

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488184635

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184635

Sorrisos canónicos

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

SMILES isoméricas

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)Cl

WGK Alemanha

3

Peso molecular

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
    • Classe Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 116-120 °C
• Peso molecular: 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1207-69-8, the molecular formula is C13H8ClN, and the molecular weight is 213.66 g/mol. InChIKey BPXINCHFOLVVSG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.