Product Name
Phenothiazine
Category
Charge Transfer Complexes; Electroluminescence Materials; Organic Light-Emitting Diode (OLED) Materials; Synthetic Tools and Reagents
Synonyms
Dibenzo-1,4-thiazine
Description
The structure of phenothiazine is rigid, being tricyclic. It is known to alter dopamine (3,4-dihydroxyphenethylamine). Its use as an electron donor is based on its unique hole transporting ability, electron releasing nitrogen and sulfur heteroatoms and its non-planar structure leading to lower molecular aggregation.
IUPAC Name
10H-Phenothiazine
Canonical SMILES
C1=CC=C2C(=C1)NC3=CC=CC=C3S2
InChI
InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
InChI Key
WJFKNYWRSNBZNX-UHFFFAOYSA-N
Solubility
less than 1 mg/mL at 68° F (NTP, 1992);7.98e-06 M;FREELY SOL IN BENZENE; SOL IN ETHER & IN HOT ACETIC ACID; SLIGHTLY SOL IN ALCOHOL & IN MINERAL OILS; PRACTICALLY INSOL IN PETROLEUM ETHER, CHLOROFORM;VERY SOL IN ACETONE;Water solubilty = 1.59 mg/l at 25 °C;Solubility in water: none;Insoluble
Application
Phenothiazine finds uses in metal free organic dye sensitizers, dyes and antioxidants.
Color/Form
YELLOW, RHOMBIC LEAFLETS OR DIAMOND-SHAPED PLATES FROM TOLUENE OR BUTANOL;YELLOW PRISMS FROM ALCOHOL;GRAYISH-GREEN TO GREENISH YELLOW POWDER, GRANULES OR FLAKES;Grayish-green to greenish-yellow solid. [insecticide]
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
1
Log P
4.15 (LogP);log Kow = 4.15;4.15
MeSH Entry Terms
phenosan;phenothiazine
Monoisotopic Mass
199.04557046
Other Experimental
SUBLIMES @ 130 °C @ 1 MM HG
Packaging
1 kg in poly bottle
Stability
READILY OXIDIZED BY SUNLIGHT OR WHEN IN PRESENCE OF FINELY DIVIDED INERT CARRIER, ACQUIRING GREENISH-BROWN TINT;SENSITIVE TO AIR & LIGHT;DARKENS TO DEEP OLIVE-GREEN ON EXPOSURE TO LIGHT;It is stable when dry but easily oxidizes when wet.
Topological Polar Surface Area
37.3 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Vapor Pressure
0 mm Hg (approx) (NIOSH, 2016);0 mmHg (approx);0 mmHg (approx)