Benzothiazole-2-acetonitrile
- CAS NO.：56278-50-3
- Empirical Formula: C9H6N2S
- Molecular Weight: 174.22
- MDL number: MFCD00051633
- EINECS: 627-570-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-11-08 14:51:26
What is Benzothiazole-2-acetonitrile?
The Uses of Benzothiazole-2-acetonitrile
2-Benzothiazoleacetonitrile is used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dye stuffs.
The Uses of Benzothiazole-2-acetonitrile
2-Benzothiazoleacetonitrile may be used for the preparation of 3-aryl-1-[(E)-cyanomethylidene]-1H-pyrido[2,1-b]benzothiazole-4-carbonitriles, via reaction with with 6-aryl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile. It may be employed in the preparation of pyrrolones, which can be used for the synthesis of 1-acyl-3-aryl-3H-pyrrolo[2′,3′:4,5]pyrimido[6,1-b]benzothiazol-6-ium-2-olates.
Production Methods
Benzothiazole-2-acetonitrile is produced by the reaction of 1- amino-2-mercaptobenzene (o-aminothiophenol) with the monoiminoether hydrochloride of malononitrile and is used as a condensation component for methine dyes.
Properties of Benzothiazole-2-acetonitrile
| Melting point: | 98-101 °C (lit.) |
| Boiling point: | 329.6±25.0 °C(Predicted) |
| Density | 1.315±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| pka | 0.10±0.10(Predicted) |
| color | Yellow |
| Water Solubility | Slightly soluble in water. |
| BRN | 128460 |
| CAS DataBase Reference | 56278-50-3(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Cyanomethyl-1,3-benzothiazole(56278-50-3) |
Safety information for Benzothiazole-2-acetonitrile
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Benzothiazole-2-acetonitrile
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