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3-Cyanomethylthiophene

3-Cyanomethylthiophene structure

CAS No.: 13781-53-8

Chemical Name:: 3-Cyanomethylthiophene

Synonyms: 3-Thienylacetonitrile;2-(thiophen-3-yl)acetonitrile;LABOTEST-BB LT00848266;THIEN-3-YLACETONITRILE;3-Cyanomethylthiophene;thiophen-3-acetonitrile;3-THIOPHENEACETONITRILE;THIOPHENE-3-ACETONITRILE;2,3-thiopheneacetonitrile;2-(3-Thienyl)acetonitrile

CBNumber:: CB0245803

Molecular Formula:: C6H5NS

Molecular Weight:: 123.18

MDL Number:: MFCD00005471

MOL File:: 13781-53-8.mol

MSDS File:: SDS

TDS File:: TDS

Last updated:2026-05-27 17:23:43

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3-Cyanomethylthiophene Properties

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
InChI	1S/C6H5NS/c7-3-1-6-2-4-8-5-6/h2,4-5H,1H2
InChIKey	GWZCLMWEJWPFFA-UHFFFAOYSA-N
SMILES	N#CCc1ccsc1
CAS DataBase Reference	13781-53-8(CAS DataBase Reference)
UNSPSC Code	12352100
NACRES	NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)

GHS06,GHS07

Signal word

Warning

Hazard statements

H302-H312-H331-H302+H312+H332-H315-H319-H335

Precautionary statements

P261-P280-P305+P351+P338-P304+P340-P405-P501a

target organs

Respiratory system

PPE

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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

HazardClass

6.1

PackingGroup

III

HS Code

29349990

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials

Hazard Classifications

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Limited Quantities

5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)

Excepted Quantities

Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

NFPA 704

	1
2		0

3-Cyanomethylthiophene price More Price(54)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Sigma-Aldrich	219193	3-Thiopheneacetonitrile 96%	13781-53-8	25g	$304	2023-01-07	Buy
TCI Chemical	T1193	Thiophene-3-acetonitrile >98.0%(GC)	13781-53-8	5g	$73	2026-04-30	Buy
Biosynth	FT32339	Thiophene-3-acetonitrile	13781-53-8	5g	$172.75	2026-06-04	Buy
Biosynth	FT32339	Thiophene-3-acetonitrile	13781-53-8	10g	$259.6	2026-06-04	Buy
Biosynth	FT32339	Thiophene-3-acetonitrile	13781-53-8	25g	$389.5	2026-06-04	Buy

Product number	Packaging	Price	Buy
219193	25g	$304	Buy
T1193	5g	$73	Buy
FT32339	5g	$172.75	Buy
FT32339	10g	$259.6	Buy
FT32339	25g	$389.5	Buy

3-Cyanomethylthiophene Chemical Properties, Uses, 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

1,1'-Carbonyldiimidazole Nitrogen Phosphorus oxitrichloride Tetrahydrofuran 3-Bromothiophene

n-Butyllithium Methyl chloroacetate 3-Bromomethylthiophene Trimethylsilyl cyanide Acetonitrile

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Preparation Products

2-(2-bromothiophen-3-yl)ethanamine

3-Cyanomethylthiophene Suppliers

Global Suppliers ( 188)

Supplier	Tel	Email	Country	ProdList	Advantage
J & K SCIENTIFIC LTD.	18210857532 18210857532	jkinfo@jkchemical.com	China	96815	76
Alfa Aesar	400-6106006	saleschina@alfa-asia.com	China	30103	84
TCI (Shanghai) Development Co., Ltd.	021-67121386	Sales-CN@TCIchemicals.com	China	24512	81
Energy Chemical	400-0056266	sales8178@energy-chemical.com	China	44850	61
Capot Chemical Co., Ltd	+86 (0) 571 85 58 67 18		China	18187	66
Adamas Reagent, Ltd.	400-6009262 15618770481	yhx@titansci.com	China	14098	59
Shanghai Hanhong Scientific Co.,Ltd.	021-54306202 13764082696	info@hanhongsci.com	China	42917	64
Shandong Xiya Chemical Co., Ltd	13355009207 13355009207	3007715519@qq.com	China	18722	57
Shanghai Fei Yan Chemical Technology Co., Ltd.	021-34663897 13816465839	1141976404@qq.com	China	41	57
Wuhan Haizheng Industry & Trade Development Co. Ltd	027-8866 0053/88660577/88660578		China	1070	55

Supplier	Advantage
J & K SCIENTIFIC LTD.	76
Alfa Aesar	84
TCI (Shanghai) Development Co., Ltd.	81
Energy Chemical	61
Capot Chemical Co., Ltd	66
Adamas Reagent, Ltd.	59
Shanghai Hanhong Scientific Co.,Ltd.	64
Shandong Xiya Chemical Co., Ltd	57
Shanghai Fei Yan Chemical Technology Co., Ltd.	57
Wuhan Haizheng Industry & Trade Development Co. Ltd	55

View Latest Price from 3-Cyanomethylthiophene manufacturers

Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
2026-08-20	3-Cyanomethylthiophene 13781-53-8	$1.10	1g	99.00%	100 Tons	Dideu Industries Group Limited
2021-08-12	3-Cyanomethylthiophene 13781-53-8	$10.00-15.00	1KG	99%+ HPLC		Zhuozhou Wenxi import and Export Co., Ltd
2021-07-02	Thiophene-3-acetonitrile 13781-53-8	$10.00-15.00	1KG	99%+ HPLC		Zhuozhou Wenxi import and Export Co., Ltd

3-Cyanomethylthiophene
13781-53-8
$1.10
99.00%
Dideu Industries Group Limited

3-Cyanomethylthiophene
13781-53-8
$10.00-15.00
99%+ HPLC
Zhuozhou Wenxi import and Export Co., Ltd

Thiophene-3-acetonitrile
13781-53-8
$10.00-15.00
99%+ HPLC
Zhuozhou Wenxi import and Export Co., Ltd

3-Cyanomethylthiophene Spectrum

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

13781-53-8 (3-Cyanomethylthiophene) Related Search:

Benzo[b]thiophene-3-acetonitrile 2-Cyanomethylthiophene 3-Cyanomethylthiophene cis-1,2-Dicyano-1,2-bis(2,4,5-trimethyl-3-thienyl)ethene 5-Chlorothianaphthene-3-acetonitrile

3-(Cyanomethyl)-2,4,5-trimethylthiophene 3-(3,4-Dimethylanilino)-2-(3-thienyl)acrylonitrile 3-(Dimethylamino)-2-(3-thienyl)acrylonitrile (5-Methyl-1-benzothien-3-yl)acetonitrile 3-(4-Phenoxyanilino)-2-(3-thienyl)acrylonitrile

3-(Dimethylamino)-2-(3-thienyl)acrylonitrile 3-[3-(Methylsulfanyl)anilino]-2-(3-thienyl)acrylonitrile 3-Anilino-2-(3-thienyl)acrylonitrile 3-(2,4-Dimethoxyanilino)-2-(3-thienyl)acrylonitrile 4-([2-Cyano-2-(3-thienyl)vinyl]amino)benzenecarboxylic acid

Methyl 4-([2-cyano-2-(3-thienyl)vinyl]amino)benzenecarboxylate 3-(2,4-Dichloroanilino)-2-(3-thienyl)acrylonitrile 2-(3-Thienyl)-3-(4-toluidino)acrylonitrile

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3-Cyanomethylthiophene 2-(thiophen-3-yl)acetonitrile Thiophen-3-yl-acetonitrile 3-thiopheneacetonitrile:3-cyanomethylthiophene: thiophene-3-acetonitrile THIOPHENE-3-ACETONITRILE LABOTEST-BB LT00848266 3-THIOPHENEACETONITRILE 3-Cyanomethylthiophene thiophen-3-acetonitrile 2,3-thiopheneacetonitrile THIEN-3-YLACETONITRILE Thiophene-3-acetonitrile, 98+% 2-(3-Thienyl)acetonitrile 3-Thiopheneacetonitrile,97% 3-Thiopheneacetonitrile,3-Thienylacetonitrile 3-Cyanomethylthiophene ISO 9001：2015 REACH 3-Cyanomethylthiophene cz 3-Cyanomethylthiophene 3-thiopheneacetonitrile 2-(thiophen-3-yl)acetonitrile 3-Thienylacetonitrile 13781-53-8 Building Blocks Heterocyclic Building Blocks Thiophenes Building Blocks C4 to C6 Thiophens Thiophene&Benzothiophene Nitriles Chemical Synthesis Heterocyclic Building Blocks Thiophenes Aromatic Nitriles