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3-Thiophenecarbonitrile
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Name

3-Thiophenecarbonitrile

 EINECS 216-687-7
CAS No. 1641-09-4 Density 1.21 g/cm3
PSA 52.03000 LogP 1.61978
Solubility N/A Melting Point N/A
Formula C5H3NS Boiling Point 195.3 °C at 760 mmHg
Molecular Weight 109.152 Flash Point 71.9 °C
Transport Information UN 3276 Appearance Clear colorless liquid
Safety 26-36-36/37 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 1641-09-4 (3-Thiophenecarbonitrile) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

3-Cyanothiophene;Thiophene-3-nitrile;Thiophene-3-carbonitrile;

Article Data 68

3-Thiophenecarbonitrile Synthetic route

71637-34-8

3-hydroxymethyl-thiophene

1641-09-4

3-thiophenecarbonitrile

Conditions
ConditionsYield
With ammonia; oxygen In tert-Amyl alcohol; water at 100℃; under 3750.38 Torr; for 5h; Autoclave; High pressure;99%
With ammonia; oxygen In 1,4-dioxane for 3h; Reflux;91%
With ammonium hydroxide; copper(l) iodide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; N-Phenylglycine; sodium hydroxide In methanol at 50℃; for 24h; Cooling with ice;90%
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; ammonia; oxygen; copper(II) nitrate In water; dimethyl sulfoxide at 80℃; under 760.051 Torr; for 5h;83%
498-62-4

3-thiophene carboxaldehyde

1641-09-4

3-thiophenecarbonitrile

Conditions
ConditionsYield
With trifluorormethanesulfonic acid; O-benzenesulfonyl-acetohydroxamic acid ethyl ester In dichloromethane at 23℃; for 24h; Inert atmosphere;98%
With hydroxylamine hydrochloride In methanol; water at 20℃; for 18h; Irradiation;89%
With ammonium hydroxide; iodine88%
69819-67-6

2-thiophenecarboxaldehyde N,N-dimethylhydrazone

1641-09-4

3-thiophenecarbonitrile

Conditions
ConditionsYield
With HOF* CH3CN at 0℃;96%
872-31-1

3-Bromothiophene

773837-37-9

sodium cyanide

1641-09-4

3-thiophenecarbonitrile

Conditions
ConditionsYield
With tri-tert-butyl phosphine; [Pd2(dba)5]; zinc In tetrahydrofuran; acetonitrile at 70℃; for 2h;93%

N,N-Dimethyl-N'-[1-thiophen-3-yl-meth-(E)-ylidene]-hydrazine

1641-09-4

3-thiophenecarbonitrile

Conditions
ConditionsYield
With 3-chloro-benzenecarboperoxoic acid In dichloromethane for 2h;91%
872-31-1

3-Bromothiophene

K4[Fe(CN)6]

K4[Fe(CN)6]

1641-09-4

3-thiophenecarbonitrile

Conditions
ConditionsYield
With sodium carbonate; potassium iodide; N,N`-dimethylethylenediamine; copper(II) bis(tetrafluoroborate) In N,N-dimethyl acetamide at 140℃; for 16h;90%
With sodium carbonate; palladium diacetate at 140℃; for 16h;87%

2,2-diazido-1,2-di(thiophen-3-yl)ethanone

100-46-9

benzylamine

A

1641-09-4

3-thiophenecarbonitrile

B

1048915-76-9

N-benzylthiophene-3-carboxamide

Conditions
ConditionsYield
With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 24h;A 33 mg
B 89%
6165-69-1

Thien-3-ylboronic acid

3012-37-1

benzyl thiocyanate

1641-09-4

3-thiophenecarbonitrile

Conditions
ConditionsYield
With copper(I) thiophene-2-carboxylate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 100℃; for 12h;83%
872-31-1

3-Bromothiophene

143-33-9

sodium cyanide

1641-09-4

3-thiophenecarbonitrile

Conditions
ConditionsYield
With trans-chloro(1-naphthyl)bis-(triphenylphosphine)nickel(II); triphenylphosphine In ethanol for 1h; Heating;82%
Stage #1: 3-Bromothiophene; sodium cyanide With potassium iodide; N,N`-dimethylethylenediamine; copper(l) iodide In toluene at 110℃; for 24h;
Stage #2: With ammonia In water; ethyl acetate; toluene at 25℃; for 0.166667h;
872-31-1

3-Bromothiophene

potassiumhexacyanoferrate(II) trihydrate

1641-09-4

3-thiophenecarbonitrile

Conditions
ConditionsYield
With tris-(dibenzylideneacetone)dipalladium(0); tris(2-morpholinophenyl)phosphine; potassium carbonate In water; tert-butyl alcohol at 85℃; for 5h; Schlenk technique; Inert atmosphere;82%

3-Thiophenecarbonitrile Chemical Properties

IUPAC Name: Thiophene-3-carbonitrile
Molecular Formula: C5H3NS
Molecular Weight: 109.14g/mol
EINECS: 216-687-7
Polar Surface Area: 52.03 Å2
Index of Refraction: 1.57
Molar Refractivity: 29.46 cm3
Molar Volume: 89.7 cm3
Polarizability: 11.67 ×10-24cm3
Surface Tension: 49.4 dyne/cm
Density: 1.21 g/cm3
Flash Point: 71.9 °C
 Enthalpy of Vaporization: 43.15 kJ/mol
Boiling Point: 195.3 °C at 760 mmHg
Vapour Pressure: 0.423 mmHg at 25°C 
The Cas Register Number of 3-Cyanothiophene is 1641-09-4 .The chemical synonyms of 3-Cyanothiophene (CAS No.1641-09-4) are Buttpark 96\11-31 ; 3-Cyanothiophene ; 3-Thiophenecarbonitrile ; Thiophene-3-carbonitrile ; Thiophene-3-carbonitrile 97% ; 3-Cyanothiophene, thiophene-3-nitrile ; 3-Thiophenecarbonitrile,94% .Product categories of 3-Cyanothiophene (CAS No.1641-09-4) are Sulphur derivatives ; Thiophene&benzothiophene ; Functional materials ; Reagents for conducting polymer research ; Thiophene derivatives (for conduting polymer research) ; Thiophen .The molecular structure of 3-Cyanothiophene (CAS No.1641-09-4) is.

3-Thiophenecarbonitrile Uses

It can be used in organic synthesis.

3-Thiophenecarbonitrile Safety Profile

Hazard Codes: HarmfulXn IrritantXi  
Risk Statements: 20/21/22-36/37/38
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-36/37 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing. 
S36/37: Wear suitable protective clothing and gloves.
RIDADR: 3276
WGK Germany: 3
HazardClass: 6.1
PackingGroup: III 

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