[2-(9H-Carbazol-9-yl)ethyl]phosphonic Acid（2PACz） - ≥98% , CAS No.20999-38-6

CAS: 20999-38-6 Cat. No.: P405551 Molecular Weight: 275.24 EC Number: 860-158-9 PubChem CID: 154704302

GRADE & PURITY ≥98%

Synonyms

[2-(9H-Carbazol-9-yl)ethyl]phosphonic Acid

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

[2-(9H-Carbazol-9-yl)ethyl]phosphonic Acid

Specifications & Purity

≥98%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488203080
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488203080
• Canonical Smiles: C1=CC=C2C(=C1)C3=CC=CC=C3N2CCP(=O)(O)O
• IUPAC Name: 2-carbazol-9-ylethylphosphonic acid
• InChIKey: KIMPAVBWSFLENS-UHFFFAOYSA-N
• INCHI: 1S/C14H14NO3P/c16-19(17,18)10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8H,9-10H2,(H2,16,17,18)
• Isomeric SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2CCP(=O)(O)O
• PubChem CID: 154704302
• Molecular Weight: 275.24
• Reaxy-Rn: 1584905

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: N-alkylindoles Substituted pyrroles N-alkylpyrrolidines Benzenoids Organic phosphonic acids and derivatives Heteroaromatic compounds Trialkylamines Enamines Azacyclic compounds Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - N-alkylindole - Benzenoid - N-alkylpyrrolidine - Substituted pyrrole - Heteroaromatic compound - Pyrrolidine - Organophosphonic acid derivative - Tertiary aliphatic amine - Tertiary amine - Azacycle - Enamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene 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

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive
• Melt Point(°C): 231 °C
• Molecular Weight: 275.240 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 275.071 Da
• Monoisotopic Mass: 275.071 Da
• Topological Polar Surface Area: 62.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 348.000
• 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

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