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CAS Number: 5732-87-6
2-cyclopentylacetonitrile

Structure

2-cyclopentylacetonitrile
Name: 2-cyclopentylacetonitrile
Synonyms:
General Information
Product Number: 5732876
CAS Registry Number: 5732-87-6
Name:
Cyclopentaneacetonit​rile
(Cyanomethyl)​cyclopentane; Cyclopentylacetonitr​ile; NSC 81879 
 
Chemical Formula: C7H11N
Exact Mass: 109.09
Molecular Weight: 109.17
m/z: 109.09 (100.0%), 110.09 (7.9%)
Elemental Analysis: C, 77.01; H, 10.16; N, 12.83
 
InChI: InChI=1S/C7H11N/c8-6-5-7-3-1-2-4-7/h7H,1-5H2
InChIKey: BKMDIBDWHXWKSV-UHFFFAOYSA-N
Canonical SMILES : C1CCC(C1)CC#N
 
Thermal Properties Value Condition Note
Boiling Point 185-187 °C   (1)CAS
Boiling Point 185-187 °C   (2)CAS
Boiling Point 185-186 °C   (3)CAS
Boiling Point 102-105 °C Press: 50 Torr (4)IC
Boiling Point 80 °C Press: 27 Torr (5)CAS
Boiling Point 78 °C Press: 18 Torr (6)IC

Specification

98%

References
  1. (1) Rohrmann, Ewald; US 2520015 1950 CAPLUS
  2. (2) Chiang, Ming-Chien; Journal of the Chinese Chemical Society (Peking) 1951, V18, P65-77 CAPLUS
  3. (3) Elderfield, Robert C.; Journal of Organic Chemistry 1961, V26, P1703-10 CAPLUS
  4. (4) Bruno, Joseph W.; Journal of the American Chemical Society 1982, V104(21), P5580-5 CAPLUS
  5. (5) Moureu, H.; Bulletin de la Societe Chimique de France 1949, P475-9 CAPLUS
  6. (6) Masuda, Yuzuru; Journal of the Chemical Society, Chemical Communications 1989, (5), P266-7 CAPLUS
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