10-Phenyl-10H-phenothiazine - ≥98% , CAS No.7152-42-3

CAS: 7152-42-3 Cat. No.: P401597 Molecular Weight: 275.37 PubChem CID: 95203

GRADE & PURITY ≥98%

Synonyms

SCHEMBL342426 | n-phenylphenothiazine | DS-19168 | BII1EYP5EW | DTXSID70221760 | PHENYL-10H-PHENOTHIAZINE, 10- | UNII-BII1EYP5EW | 10H-Phenothiazine, 10-phenyl- | BRN 0017325 | 10H-Phenothiazine, 10-phenyl- (9CI) | 10-Phenylphenothiazine | 4-27-00-01220 (

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

An organic photo-catalyst used in synthesis of small molecules as well as polymerization reactions.

Specifications

Synonyms

SCHEMBL342426 | n-phenylphenothiazine | DS-19168 | BII1EYP5EW | DTXSID70221760 | PHENYL-10H-PHENOTHIAZINE, 10- | UNII-BII1EYP5EW | 10H-Phenothiazine, 10-phenyl- | BRN 0017325 | 10H-Phenothiazine, 10-phenyl- (9CI) | 10-Phenylphenothiazine | 4-27-00-01220 (

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186889
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186889
• Canonical Smiles: C1=CC=C(C=C1)N2C3=CC=CC=C3SC4=CC=CC=C42
• IUPAC Name: 10-phenylphenothiazine
• InChIKey: WSEFYHOJDVVORU-UHFFFAOYSA-N
• INCHI: 1S/C18H13NS/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-13H
• Isomeric SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3SC4=CC=CC=C42
• PubChem CID: 95203
• Molecular Weight: 275.37

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Phenothiazines Diarylthioethers Aniline and substituted anilines 1,4-thiazines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tertiary aromatic amine - Phenothiazine - Diarylthioether - Benzothiazine - Aryl thioether - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Para-thiazine - Azacycle - Organoheterocyclic compound - Thioether - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in acetone
• Sensitivity: Light sensitive
• Boil Point(°C): 223 °C/1 mmHg
• Melt Point(°C): 95 ℃
• Molecular Weight: 275.400 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 275.077 Da
• Monoisotopic Mass: 275.077 Da
• Topological Polar Surface Area: 28.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 303.000
• 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. Bai Liangjiu, Jiang Xinyan, Sun Zhixiang, Pei Zhaoxia, Ma Anyao, Wang Wenxiang, Chen Hou, Yang Huawei, Yang Lixia, Wei Donglei.  (2019)  Self-healing nanocomposite hydrogels based on modified cellulose nanocrystals by surface-initiated photoinduced electron transfer ATRP.  CELLULOSE,  26  (9): (5305-5319).  [PMID:] [10.1007/s10570-019-02449-2]

2. Xiaojing Lv, Juncheng Dong, Mingfa Shao, Jin Li, Jiankun Cui, Yufeng Shi, Yang He, Mi Ouyang, Cheng Zhang.  (2024)  Flexible All-Solid-State Zinc-Based Electrochromic Energy Storage Devices for Adaptive Military Camouflage.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.4c02371]