PYRROLE-2-CARBONITRILE Chemical Properties

Boiling point:

92-94 °C/2 mmHg

Density 

1.081 g/mL at 25 °C

refractive index 

1.5475-1.5505

Flash point:

92-94°C/2mm

storage temp. 

Inert atmosphere,Store in freezer, under -20°C

solubility 

Miscible with benzene, dichloromethane, tertrahydrofuran, dimethylformamide and acetonitrile.

form 

Liquid

pka

14.18±0.50(Predicted)

color 

Clear yellow to orange

Sensitive 

Air & Light Sensitive

BRN 

107047

InChI

InChI=1S/C5H4N2/c6-4-5-2-1-3-7-5/h1-3,7H

InChIKey

BQMPGKPTOHKYHS-UHFFFAOYSA-N

SMILES

N1C=CC=C1C#N

CAS DataBase Reference

4513-94-4(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn

Risk Statements 

20/21/22-41-37/38

Safety Statements 

36/37-36/37/39-26

RIDADR 

UN3276

WGK Germany 

3

HazardClass 

6.1

PackingGroup 

III

HS Code 

29339900

MSDS

• Language:English Provider:ACROS
• Language:English Provider:ALFA

PYRROLE-2-CARBONITRILE Usage And Synthesis

Chemical Properties

clear yellow to orange liquid

Uses

Pyrrole-2-carbonitrile is a reagent that is used to prepare heteroaryl-azabicycloheptane which is a new class of triple re-uptake inhibitors.

Synthesis Reference(s)

Canadian Journal of Chemistry, 59, p. 2673, 1981 DOI: 10.1139/v81-384
Tetrahedron, 39, p. 3881, 1983 DOI: 10.1016/S0040-4020(01)90890-7

General Description

Product is a liquid and not a solid

PYRROLE-2-CARBONITRILE(4513-94-4)Related Product Information

• (1H-PYRROL-2-YL)-ACETIC ACID
• Ethyl pyrrole-2-carboxylate
• PYRROLIDINE-1-SULFONYL CHLORIDE
• 1H-PYRROLE-1-PROPANOIC ACID
• Pyrrole-3-carboxaldehyde
• (1H-PYRROL-2-YL)-ACETONITRILE
• Pyrrole-3-carboxylic acid
• PYRROLIDINE-3-CARBOXYLIC ACID TERT-BUTYL ESTER
• Pyrrole-2-carboxylic acid
• Tralopyril
• Pyrimidine-5-boronic acid pinacol ester
• Pyrimidine-2-carboxylic acid
• Pyrimidine
• Pyrrole-2-carboxaldehyde
• Pyrimidine-5-carboxaldehyde
• (1-PYRROLIDINO)ACETONITRILE
• Fludioxonil
• 1H-Pyrrole-3-carbonitrile, 4-(2,3-dichlorophenyl)-,1H-Pyrrole-3-carbonitrile, 4-(2,3-dichlorophenyl)-