CAS Number: 13121-99-8
2-(pyridin-4-yl)acetonitrile
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Structure |
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| Name: 2-(pyridin-4-yl)acetonitrile |
| Synonyms: |
|
| General Information |
Product Number: 13121998
CAS Registry Number 13121-99-8
Name:
4-?Pyridineacetonitrile
2-(4-Pyridyl)acetonitrile
4-Cyanomethylpyridine
4-Pyridinylacetonitrile
4-Pyridylacetonitrile
Chemical Formula: C7H6N2
Exact Mass: 118.05
Molecular Weight: 118.14
m/z: 118.05 (100.0%), 119.06 (7.6%)
InChI:InChI=1S/C7H6N2/c8-4-1-7-2-5-9-6-3-7/h2-3,5-6H,1H2
InChI Key:BMVSAKPRNWZCPG-UHFFFAOYSA-N
Canonical SMILES:C1=CN=CC=C1CC#N
| Thermal Properties |
Value |
Condition |
Note |
| Boiling Point |
145 °C |
Press: 18 Torr |
(1)CAS |
| Boiling Point |
97-99 °C |
Press: 1 Torr |
(2)IC |
| Boiling Point |
95-98 °C |
Press: 0.1 Torr |
(3)IC |
| Boiling Point |
92 °C |
Press: 0.5 Torr |
(4)CAS |
| Boiling Point |
89-91 °C |
Press: 0.1 Torr |
(5)CAS |
| Melting Point |
52-53 °C |
Solv: ligroine (8032-32-4) |
(5)CAS |
| Melting Point |
50-52 °C |
|
(2)IC |
| Melting Point |
43-44 °C |
|
(8)CAS |
| Melting Point |
43 °C |
Solv: ethyl acetate (141-78-6); hexane (110-54-3) |
(9)IC |
|
Specification |
98%
|
| References |
- (1) Schulze, Werner; Journal fuer Praktische Chemie (Leipzig) 1962, V19(No.1-2), P91-100 CAPLUS
- (2) Czuba, Wladyslaw; Polish Journal of Chemistry 1979, V53(7-8), P1477-87 CAPLUS
- (3) Borne, Ronald F.; Journal of Heterocyclic Chemistry 1980, V17(7), P1609-11 CAPLUS
- (4) Betts, B. E.; Journal of the Chemical Society 1961, P3333-40 CAPLUS
- (5) Carelli, Vincenzo; Annali di Chimica (Rome, Italy) 1960, V50, P698-703 CAPLUS
- (8) Banashek, A.; Zhurnal Obshchei Khimii 1961, V31, P1479-83 CAPLUS
- (9) Biere, H.; Tetrahedron Letters 1979, (16), P1361-2 CAPLUS
- (10) Jaensch, Hans Joachim; DD 272071 A1 1989 CAPLUS
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