Phenothiazine

• CAS: 92-84-2
• Catalog Number: ACM92842-2
• Category: Inhibitors
• Molecular Weight: 199.27
• Molecular Formula: C12H9NS
• 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.
• Synonyms: Dibenzo-1,4-thiazine
• 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
• Boiling Point: 371 °C
• Melting Point: 184 °C
• Flash Point: 202 °C
• Density: 1.34 g/cm³
• 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
• Appearance: Solid
• Application: Phenothiazine finds uses in metal free organic dye sensitizers, dyes and antioxidants.
• Storage: room temp
• Assay: ≥98.0% (GC)
• Autoignition Temperature: 471 °C
• 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]
• Complexity: 187
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 202-196-5
• Exact Mass: 199.04557046
• Formal Charge: 0
• Grade: purum
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• ICSC Number: 0937
• Isotope Atom Count: 0
• LogP: 4.15 (LogP);log Kow = 4.15;4.15
• MDL Number: MFCD00005015
• Monoisotopic Mass: 199.04557046
• NSC Number: 760392;2037
• Odor: SLIGHT ODOR
• Other Experimental: SUBLIMES @ 130 °C @ 1 MM HG
• Packaging: 1 kg in poly bottle
• Physical State: Yellow prills or beads
• Quality Level: 200
• Rotatable Bond Count: 0
• RTECS Number: SN5075000
• Shipping: Can be shipped at room temperature, where not in use may vary.
• 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
• UNII: GS9EX7QNU6
• Vapor Pressure: 0 mm Hg (approx) (NIOSH, 2016);0 mmHg (approx);0 mmHg (approx)
• XLogP3: 4.2