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668311

Pyrrole-2-carbonitrile

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About This Item

Empirical Formula (Hill Notation):
C5H4N2
CAS Number:
4513-94-4
Molecular Weight:
92.10
NACRES:
NA.22
PubChem Substance ID:
24884976
UNSPSC Code:
12352100
MDL number:
MFCD00234061
Assay:
96%
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Quality Level

100

assay

96%

refractive index

n20/D 1.5513

bp

92-94 °C/2 mmHg

density

1.081 g/mL at 25 °C

functional group

nitrile

SMILES string

N#Cc1ccc[nH]1

InChI

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

InChI key

BQMPGKPTOHKYHS-UHFFFAOYSA-N

General description

Product is a liquid and not a solid

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW7413
MKCP0149
MKCM8062
MKCF0526
MKBZ9461V

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Seungmin Oh et al.
The journal of physical chemistry. B, 123(39), 8274-8284 (2019-09-11)
Ionic liquids with aprotic heterocyclic anions (AHAs) have been developed for CO2 capture but have been considered for other applications as well. Previously, we have shown that AHA ILs, where the only site for reaction with CO2 is the anion
Quintin R Sheridan et al.
The journal of physical chemistry. B, 120(46), 11951-11960 (2016-10-27)
A combination of X-ray scattering experiments and molecular dynamics simulations were conducted to investigate the structure of ionic liquids (ILs) which chemically bind CO
Guokai Cui et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 21(14), 5632-5639 (2015-02-18)
A new approach has been developed to improve SO2 sorption by cyano-containing ionic liquids (ILs) through tuning the basicity of ILs and cyano-sulfur interaction. Several kinds of cyano-containing ILs with different basicity were designed, prepared, and used for SO2 capture.

Global Trade Item Number

SKUGTIN
668311-5G04061833358139