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

CAS: 15679-03-5 Cat. No.: C303006 Formule: C₁₃H₈ClN Poids moléculaire: 213.66 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

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

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

504758237

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758237

Sourires canoniques

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

Isomères SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2Cl

Poids moléculaire

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
    • 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: 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

Propriétés chimiques et physiques

• Point d'éclair (°C): 214.1°C
• Point d'ébullition (°C): 377.7°C at 760 mmHg
• Poids moléculaire: 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