ChemicalBook--->CAS DataBase List--->13781-53-8

13781-53-8

13781-53-8 Structure

13781-53-8 Structure
IdentificationMore
[Name]

3-Cyanomethylthiophene
[CAS]

13781-53-8
[Synonyms]

3-Cyanomethylthiophene
3-THIOPHENEACETONITRILE
LABOTEST-BB LT00848266
THIOPHENE-3-ACETONITRILE
3-Thienylacetonitrile
thiophen-3-acetonitrile
2,3-thiopheneacetonitrile
THIEN-3-YLACETONITRILE
Thiophene-3-acetonitrile, 98+%
2-(3-Thienyl)acetonitrile
[EINECS(EC#)]

237-433-1
[Molecular Formula]

C6H5NS
[MDL Number]

MFCD00005471
[Molecular Weight]

123.18
[MOL File]

13781-53-8.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow to brown liquid
[Boiling point ]

124-125 °C/16 mmHg (lit.)
[density ]

1.08 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.545(lit.)
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[Specific Gravity]

1.080
[BRN ]

107774
[CAS DataBase Reference]

13781-53-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,T
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 3276 6.1/PG 2
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29349990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Tetrahydrofuran-->Phosphorus oxychloride-->n-Butyllithium-->Nitrogen-->Methyl chloroacetate-->1,1'-Carbonyldiimidazole-->3-Bromothiophene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Cyanomethylthiophene(13781-53-8).msds
Hazard InformationBack Directory
[Chemical Properties]

clear yellow to brown liquid
[Uses]

3-Thiopheneacetonitrile was used in the synthesis of:
  • (E)-3-phenyl-2-(3-thienyl) acrylonitrile
  • (Z)-3-(4-methylphenyl)-2-(3-thienyl) acrylonitrile
Spectrum DetailBack Directory
[Spectrum Detail]

3-Cyanomethylthiophene(13781-53-8)MS
3-Cyanomethylthiophene(13781-53-8)1HNMR
3-Cyanomethylthiophene(13781-53-8)13CNMR
3-Cyanomethylthiophene(13781-53-8)IR1
3-Cyanomethylthiophene(13781-53-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Thiopheneacetonitrile, 98%(13781-53-8)
[Sigma Aldrich]

13781-53-8(sigmaaldrich)
[TCI AMERICA]

Thiophene-3-acetonitrile,>97.0%(GC)(13781-53-8)
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