ChemicalBook--->CAS DataBase List--->55406-13-8

55406-13-8

55406-13-8 Structure

55406-13-8 Structure
IdentificationMore
[Name]

3-METHYLTHIOPHENE-2-CARBONITRILE
[CAS]

55406-13-8
[Synonyms]

2-CYANO-3-METHYLTHIOPHENE
3-METHYLTHIOPHENE-2-CARBONITRILE
3-Methyl-2-thiophenecarbonitrile
3-Methylthiophene-2-carbonitrile 98%
[EINECS(EC#)]

200-258-5
[Molecular Formula]

C6H5NS
[MDL Number]

MFCD00052086
[Molecular Weight]

123.18
[MOL File]

55406-13-8.mol
Chemical PropertiesBack Directory
[Boiling point ]

91-93°C 12mm
[refractive index ]

1.5530
[Fp ]

91-93°C/12mm
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[BRN ]

5495606
[CAS DataBase Reference]

55406-13-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

3276
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[PackingGroup ]

III
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydroxylamine hydrochloride-->Formic acid-->3-Methyl-2-thiophenecarboxaldehyde-->3-Methylthiophene-2-carboxamide
Hazard InformationBack Directory
[Preparation]

3-Methylthiophene-2-carbonitrile synthesis: 3-Methyl-2-thiophenecarboxamide (18.6 g, 0.13 mol) was mixed with an excess of POCl3, and the mixture heated at reflux temperature for 2 h. The excess POCl3 was removed under vacuum and the residue dissolved in 500 mL of 1,2-dichloroethane, washed (carefully!) with water, then brine, and the solvent removed to give 23 g of crude 3-methyl-2-thiophenecarbonitrile. This material was passed through a plug of silica gel with CH2Cl2 and the solvent evaporated to give 16.2 g (100%) of as a light tan oil: 1H NMR (CDCl3) d 7.4 (d, J=4.8 Hz, 1H), 6.9 (d, J=5.4 Hz, 1H), 2.4 ppm (s, 3H); 97% pure by HPLC area %.
Spectrum DetailBack Directory
[Spectrum Detail]

3-METHYLTHIOPHENE-2-CARBONITRILE(55406-13-8)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Methylthiophene-2-carbonitrile, 96%(55406-13-8)
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55406-13-8 138564-59-7 138564-58-6