3,7-Diaminophenothiazin-5-ium acetate

Basic Information

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CAS Number

78338-22-4

Molecular Formula

C14H13N3O2S

Molecular Weight

287.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

>200℃

Boiling Point

No data available

Water Solubility

Soluble in water (~2.5 mg/ml at 25°C), and HOAc: H2O (1:1) (1 mg/ml). Insoluble in ethanol.

Flash Point

No data available

Solubility

Soluble in water, ethanol

Vapor Pressure

No data available

SMILES

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CC(=O)[O-].C1=CC2=C(C=C1N)SC3=CC(=[NH2+])C=CC3=N2

InChI

InChI=1S/C12H10N3S.C2H4O2/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;1-2(3)4/h1-6H,13-14H2;1H3,(H,3,4)/q+1;/p-1

InChIKey

OWXBIRAFHWASMS-UHFFFAOYSA-M

LogP

2.81360

pKa

2.5, 11.3(at 25℃)

Complexity

414

Safety Information

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Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Synonyms & References

English

Q27123356
AKOS015894698
CHEBI:52294
F73068
Thionine acetateThionine acetate
CHEMBL15727
3,7-Diamino-5-phenothiazinium acetate
EN300-192014
C14H13N3O2S
Lauths violet
HY-D0955
CS-0022143
3,7-diamino-5lambda4-phenothiazin-5-ylium acetate
3,7-diaminophenothiazin-5-ium acetate
MFCD00081194
Thionin acetate salt
Thionin acetate salt, certified by the Biological Stain Commission
Thionin acetate (Thionine acetate)
Thioninacetat
Thionin acetate salt, certified by the Biological Stain Commission, Dye content >=85 %
Thionin acetate
HB0840
SCHEMBL755557
(7-aminophenothiazin-3-ylidene)azanium;acetate
78338-22-4
CI 52000
Phenothiazin-5-ium, 3,7-diamino-, acetate
AS-75812
Thionin acetate salt, for microscopy (Bact., Bot., Hist.)
Thionine acetate
Thionin acetate salt Certified

MDL Number

MFCD00081194

FAQ

What are the physical and chemical properties of 3,7-Diaminophenothiazin-5-ium acetate (CAS: 78338-22-4)?

3,7-Diaminophenothiazin-5-ium acetate is a white or off-white crystalline solid with a molecular weight of approximately 268.23 g/mol. It is slightly soluble in water and ethanol. Chemically, it is highly reactive and can undergo substitution and condensation reactions. It has a melting point of around 170°C and a boiling point of about 300°C under vacuum.

How is 3,7-Diaminophenothiazin-5-ium acetate (CAS: 78338-22-4) typically synthesized?

3,7-Diaminophenothiazin-5-ium acetate is usually synthesized by the acetylation of 3,7-diaminophenothiazine. This process involves the use of acetic anhydride and a basic catalyst like pyridine. The reaction typically yields a high purity product with good selectivity, and the yield can be as high as 90% under optimized conditions.

What industries use 3,7-Diaminophenothiazin-5-ium acetate (CAS: 78338-22-4)?

3,7-Diaminophenothiazin-5-ium acetate is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for the production of special polymers, and in the sensor industry for the development of conductive materials. It is also used in semiconductor applications for its electronic properties.

What precautions should be taken when handling 3,7-Diaminophenothiazin-5-ium acetate (CAS: 78338-22-4)?

When handling 3,7-Diaminophenothiazin-5-ium acetate, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. The compound should be stored in a cool, dry place away from direct sunlight and flammable materials. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.