6-Chlorophenanthridine - ≥95% , CAS No.15679-03-5

CAS: 15679-03-5 Cat. No.: C303006 Molecular Weight: 213.66 EC Number: 663-476-4

GRADE & PURITY ≥95%

Synonyms

6-chlorophenanthridine | Phenanthridine,6-chloro- | SCHEMBL516091 | SY115520 | DTXSID90296819 | DS-5237 | phenanthridine, 6-chloro- | AMY7441 | NSC134379 | NSC-134379 | FT-0756347 | NSC 111845 | NSC 134379 | NSC111845 | NSC-111845 | XHZTZKAXCPJABO-UHFFFAO

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

6-chlorophenanthridine | Phenanthridine, 6-chloro- | SCHEMBL516091 | SY115520 | DTXSID90296819 | DS-5237 | phenanthridine, 6-chloro- | AMY7441 | NSC134379 | NSC-134379 | FT-0756347 | NSC 111845 | NSC 134379 | NSC111845 | NSC-111845 | XHZTZKAXCPJABO-UHFFFAO

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504758237
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758237
• Canonical Smiles: C1=CC=C2C(=C1)C3=CC=CC=C3N=C2Cl
• IUPAC Name: 6-chlorophenanthridine
• InChIKey: XHZTZKAXCPJABO-UHFFFAOYSA-N
• INCHI: 1S/C13H8ClN/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H
• Isomeric SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N=C2Cl
• Molecular Weight: 213.66
• Reaxy-Rn: 141509
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=141509&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: Phenanthridines and derivatives
• Alternative Parents: Chloroquinolines Isoquinolines and derivatives 2-halopyridines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenanthridine - Haloquinoline - Chloroquinoline - Isoquinoline - 2-halopyridine - 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 phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic system with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included.
• 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

Chemical and Physical Properties

• Flash Point(°C): 214.1°C
• Boil Point(°C): 377.7°C at 760 mmHg
• Molecular Weight: 213.660 g/mol
• XLogP3: 4.400
• 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: 231.000
• 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

References

1. Liang Yu, Yan Peng, Linping Jiang, Liyan Qiu.  (2023)  Sequential Diagnosis and Treatment for Colon Cancer via Derived Iridium and Indocyanine Green Hybrid Nanomicelles.  ACS Applied Materials & Interfaces,      [PMID:37437265] [10.1021/acsami.3c07742]