10-(4-Bromophenyl)phenothiazine - ≥90% , CAS No.63524-03-8

CAS: 63524-03-8 Cat. No.: B405241 Formula: C₁₈H₁₂BrNS Peso molecolare: 354.27

GRADE & PURITY ≥90%

Synonyms

10H-phenothiazine, 10-(4-bromophenyl)- | MFCD21609447 | 10-(4-bromophenyl)phenothiazine | 10-(4-Bromophenyl)phenothiazine (contains 10% 10-(4-Iodophenyl)phenothiazine at maximum) | KOLVTMISRQOMPW-UHFFFAOYSA-N | T71163 | B5374 | SCHEMBL1022593 | 10-(4-brom

Storage

Room temperature

Specifications

Sinonimi

10H-phenothiazine, 10-(4-bromophenyl)- | MFCD21609447 | 10-(4-bromophenyl)phenothiazine | 10-(4-Bromophenyl)phenothiazine (contains 10% 10-(4-Iodophenyl)phenothiazine at maximum) | KOLVTMISRQOMPW-UHFFFAOYSA-N | T71163 | B5374 | SCHEMBL1022593 | 10-(4-brom

Specifiche e purezza

≥90%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥90%

Nomi e identificatori

• Pubchem Sid: 504759660
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759660
• Sorrisi canonici: C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C4=CC=C(C=C4)Br
• IUPAC Name: 10-(4-bromophenyl)phenothiazine
• InChIKey: KOLVTMISRQOMPW-UHFFFAOYSA-N
• INCHI: 1S/C18H12BrNS/c19-13-9-11-14(12-10-13)20-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)20/h1-12H
• Isomeri SMILES: C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C4=CC=C(C=C4)Br
• Peso molecolare: 354.27
• Reaxy-Rn: 920369
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=920369&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Phenothiazines Diarylthioethers Aniline and substituted anilines Bromobenzenes Aryl bromides 1,4-thiazines Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tertiary aromatic amine - Phenothiazine - Diarylthioether - Benzothiazine - Aniline or substituted anilines - Aryl thioether - Halobenzene - Bromobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Para-thiazine - Organoheterocyclic compound - Azacycle - Thioether - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
• 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 134 °C
• Peso molecolare: 354.300 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 352.987 Da
• Monoisotopic Mass: 352.987 Da
• Topological Polar Surface Area: 28.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 333.000
• 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