2-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl)-1-(4-methylphenyl)ethanone hydrobromide (1:1)

Basic Information

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CAS Number

63208-82-2

Molecular Formula

C16H19BrN2OS

Molecular Weight

367.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

192.1-192.5 °C

Solubility

DMSO: 20 mg/mL

SMILES

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Cc1ccc(cc1)C(=O)Cn1c(=N)sc2c1CCCC2.Br

InChI

InChI=1S/C16H18N2OS.BrH/c1-11-6-8-12(9-7-11)14(19)10-18-13-4-2-3-5-15(13)20-16(18)17;/h6-9,17H,2-5,10H2,1H3;1H

InChIKey

HAGVCKULCLQGRF-UHFFFAOYSA-N

LogP

3.677090000000003

pKa

9.11(at 25℃)

Topological Polar Surface Area

45.85 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

449

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

对光和热敏感

Synonyms & References

English

PIFITHRIN-ALPHA
2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone,hydrobromide
2-(2-Imino-4,5,6,7-tetrahydrobenzo[d]thiazol-3(2H)-yl)-1-p-tolylethanone hydrobromide
PFT-a
Pifithrin-&alpha
PIFITHRIN-ALPHA HYDROBROMIDE
Pifithrin-α
Pifithrin-α (PFTα)
Pifithrin-α (PFT-α)
Pifithrin-α hydrobromide
2-imino-3-phenacyl-4,5,6,7-tetrahydrobenzothiazole hydrobromide
A hydrobromide
PFT
PFTalpha
PFTα hydrobromide
Pifithrin-
Pifithrin hydrobromide
Pifithrin-?
Pifithrin-?Hydrobromide
Pifithrin-Alpha (hydrobromide)
2-(2-Imino-4,5,6,7-tetrahydrobenzothiazol-3-yl)-1-p-tolylethanone hydrobromide
PFT-α
1-(4-Methylphenyl)-2-(4,5,6,7-tetrahydro-2-imino-3(2H)-benzothiazolyl)ethanone hydrobromide
PFT-alpha
pifithrin
A (PFT
A) HBr
A
A)
D213B92S1Y
2-(2-Imino-4,5,6,7-tetrahydrobenzothiazo

MDL Number

MFCD00417851

FAQ

What are the physical and chemical properties of 2-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl)-1-(4-methylphenyl)ethanone hydrobromide (CAS: 63208-82-2)?

2-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl)-1-(4-methylphenyl)ethanone hydrobromide is a crystalline compound with a molecular weight of approximately 421.5 g/mol. It is slightly soluble in water and ethanol. The compound exhibits good reactivity with a variety of nucleophiles. It is stable under normal conditions but should be stored in a dry, cool place away from direct sunlight.

How is 2-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl)-1-(4-methylphenyl)ethanone hydrobromide (CAS: 63208-82-2) typically synthesized?

2-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl)-1-(4-methylphenyl)ethanone hydrobromide is typically synthesized via a multi-step process involving the condensation of 4-methylbenzaldehyde and 2-aminobenzothiazole followed by hydrobromination. The reaction is carried out in the presence of an appropriate catalyst to achieve high yield and selectivity.

What industries use 2-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl)-1-(4-methylphenyl)ethanone hydrobromide (CAS: 63208-82-2)?

2-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl)-1-(4-methylphenyl)ethanone hydrobromide is used in the pharmaceutical industry for the synthesis of certain antibiotics and in the semiconductor industry as a precursor for the production of organic thin films.

What precautions should be taken when handling 2-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl)-1-(4-methylphenyl)ethanone hydrobromide (CAS: 63208-82-2)?

When handling 2-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl)-1-(4-methylphenyl)ethanone hydrobromide, it is crucial to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate methods as outlined in the safety data sheet (SDS). Storage should be in a cool, dry place, away from oxidizing agents and heat sources.