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CAS Number: 24437-41-0
2-(1-methyl-1H-pyrrol-2-yl)acetonitrile

Structure

2-(1-methyl-1H-pyrrol-2-yl)acetonitrile
Name: 2-(1-methyl-1H-pyrrol-2-yl)acetonitrile
Synonyms:
General Information
Product Number: 24437410

CAS Registry Number: 24437-41-0

Name:

1H-​Pyrrole-​2-​acetonitrile, 1-​methyl-
Pyrrole-​2-​acetonitrile, 1-​methyl- (8CI); 1-​Methyl-​1H-​pyrrole-​2-​acetonitrile; 1-​Methylpyrrole-​2-​acetonitrile 

 

Chemical Formula: C7H8N2
Exact Mass: 120.07
Molecular Weight: 120.15
m/z: 120.07 (100.0%), 121.07 (8.3%)
Elemental Analysis: C, 69.97; H, 6.71; N, 23.32

 

InChI: InChI=1S/C7H8N2/c1-9-6-2-3-7(9)4-5-8/h2-3,6H,4H2,1H3
InChIKey: ROSYAUHHRKAPHX-UHFFFAOYSA-N
Canonical SMILES : CN1C=CC=C1CC#N

 

Thermal Properties Value Condition Note
Boiling Point 90-92 °C Press: 1 Torr (1)CAS
Boiling Point 74-84 °C Press: 0.6 Torr (2)CAS
Boiling Point 72-76 °C Press: 0.1 Torr (3)CAS
Boiling Point 60-61 °C Press: 0.005 Torr (4)IC
Boiling Point 55 °C Press: 0.05 Torr (5)IC
Melting Point 28-29 °C   (4)IC

Specification

98%

References
  1. (1) Herz, Werner; Journal of the American Chemical Society 1951, V73, P4921-3 CAPLUS
  2. (2) Pachter, Irwin J.; US 3105076 1963 CAPLUS
  3. (3) FR 1541593 1968 CAPLUS
  4. (4) Carson, John R.; Journal of Organic Chemistry 1977, V42(6), P1096-8 CAPLUS
  5. (5) Rigo, Benoit; Synthetic Communications 1990, V20(12), P1769-76 CAPLUS
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