CAS 92-84-2 Phenothiazine - Materials / Alfa Chemistry

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Charge Transfer Complexes

Phenothiazine

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Catalog Number

ACM92842-2

Product Name

Phenothiazine

Structure

CAS

92-84-2

Category

Charge Transfer Complexes

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

Molecular Weight

199.27

Molecular Formula

C12H9NS

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

Purity

99.14%

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

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

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

EC Number

202-196-5

Exact Mass

199.04557046

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

ICSC Number

0937

Isotope Atom Count

Log P

4.15 (LogP);log Kow = 4.15;4.15

MDL Number

MFCD00005015

MeSH Entry Terms

phenosan;phenothiazine

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

Rotatable Bond Count

RTECS Number

SN5075000

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 Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

UNII

GS9EX7QNU6

Vapor Pressure

0 mm Hg (approx) (NIOSH, 2016);0 mmHg (approx);0 mmHg (approx)

XLogP3

4.2

MSDS

Download MSDS