3-Cyanomethylthiophene
- Product Name
- 3-Cyanomethylthiophene
- CAS No.
- 13781-53-8
- Chemical Name
- 3-Cyanomethylthiophene
- Synonyms
- 3-Thienylacetonitrile;THIEN-3-YLACETONITRILE;3-Cyanomethylthiophene;LABOTEST-BB LT00848266;thiophen-3-acetonitrile;3-THIOPHENEACETONITRILE;THIOPHENE-3-ACETONITRILE;2,3-thiopheneacetonitrile;2-(3-Thienyl)acetonitrile;Thiophen-3-yl-acetonitrile
- CBNumber
- CB0245803
- Molecular Formula
- C6H5NS
- Formula Weight
- 123.18
- MOL File
- 13781-53-8.mol
3-Cyanomethylthiophene Property
- Boiling point:
- 124-125 °C/16 mmHg (lit.)
- Density
- 1.08 g/mL at 25 °C (lit.)
- refractive index
- n20/D 1.545(lit.)
- Flash point:
- >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Specific Gravity
- 1.080
- BRN
- 107774
- CAS DataBase Reference
- 13781-53-8(CAS DataBase Reference)
Safety
- Hazard Codes
- Xn,T
- Risk Statements
- 20/21/22-36/37/38-23/24/25
- Safety Statements
- 26-36/37-45-36/37/39
- RIDADR
- UN 3276 6.1/PG 2
- WGK Germany
- 3
- HazardClass
- 6.1
- PackingGroup
- III
- HS Code
- 29349990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H312Harmful in contact with skin
H315Causes skin irritation
H319Causes serious eye irritation
H331Toxic if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- 219193
- Product name
- 3-Thiopheneacetonitrile
- Purity
- 96%
- Packaging
- 25g
- Price
- $304
- Updated
- 2023/01/07
- Product number
- T1193
- Product name
- Thiophene-3-acetonitrile
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $79
- Updated
- 2025/07/31
- Product number
- T430088
- Product name
- Thiophene-3-acetonitrile
- Packaging
- 500mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- JK288464
- Product name
- 3-Thiopheneacetonitrile
- Packaging
- 1g
- Price
- $32
- Updated
- 2021/12/16
- Product number
- 123110
- Product name
- Thiophene-3-acetonitrile
- Purity
- 95+%
- Packaging
- 1g
- Price
- $132
- Updated
- 2021/12/16
3-Cyanomethylthiophene Chemical Properties,Usage,Production
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
Synthesis
34846-44-1
7677-24-9
13781-53-8
General procedure for the synthesis of 3-thiophene acetonitrile from 3-methylthiophene and trimethylcyanosilane: N-bromosuccinimide (NBS, 9.07 g, 50.9 mmol, 1 eq.) and azobisisobutyronitrile (AIBN, 836 mg, 5.1 mmol, 0.1 eq.) were added to 3-methylthiophene (5 g, 50.9 mmol, 1 eq.) in carbon tetrachloride ( CCl4, 20 mL) solution. The reaction mixture was refluxed for 1 hour. After completion of the reaction, it was cooled to room temperature and the solvent was removed by evaporation under reduced pressure. The residue was dissolved in anhydrous acetonitrile (40 mL). Trimethylcyanosilane (TMSCN, 20 mL, 153 mmol, 3 eq.) and tetrabutylammonium fluoride (TBAF, 1 M solution of THF, 153 mL, 153 mmol, 3 eq.) were added slowly and dropwise to the solution at 0 °C and under argon protection. The reaction mixture was stirred at room temperature overnight. After completion of the reaction, the solvent was removed by evaporation under reduced pressure. The residue was purified by fast column chromatography (eluent: 5% ethyl acetate/cyclohexane) to afford the orange oily product 3-thiophene acetonitrile (4.06 g, 33 mmol, 65% overall yield in two steps). The product was characterized as follows: 1H NMR (300 MHz, CDCl3): δ 7.22 (dd, J = 5.0, 3.0 Hz, 1H), 7.10 (dd, J = 2.8, 1.1 Hz, 1H), 6.90 (dd, J = 5.0, 1.2 Hz, 1H), 3.58 (s, 2H) ppm; 13C NMR (100 MHz CDCl3): δ 129.4, 127.0, 126.9, 122.9, 117.7, 18.4 ppm; IR (neat): ν 3104, 2360, 2340, 2255, 1688, 1415, 832, 771, 692 cm-1; GC-MS: m/z C6H5NS [M+] 122.
References
[1] Tetrahedron, 2013, vol. 69, # 22, p. 4473 - 4478
3-Cyanomethylthiophene Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-Cyanomethylthiophene manufacturers
- Product
- 3-Cyanomethylthiophene 13781-53-8
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-08-11
- Product
- Thiophene-3-acetonitrile 13781-53-8
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-06-27
- Product
- 3-Cyanomethylthiophene 13781-53-8
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 90%-99.9%
- Supply Ability
- 500kg
- Release date
- 2019-07-12