2-Pyrrolidinecarbonitrile, 4-fluoro-, (2S,4S)-, 4-methylbenzenesulfonate (1:1)
CAS Registry Number®
483366-11-6
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CAS Name
2-Pyrrolidinecarbonitrile, 4-fluoro-, (2S,4S)-, 4-methylbenzenesulfonate (1:1)Molecular Formula
C7H8O3S.C5H7FN2Cite this Page
2-Pyrrolidinecarbonitrile, 4-fluoro-, (2S,4S)-, 4-methylbenzenesulfonate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=483366-11-6 (retrieved ) (CAS RN: 483366-11-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
156-157 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C7H8O3S.C5H7FN2/c1-6-2-4-7(5-3-6)11(8,9)10;6-4-1-5(2-7)8-3-4/h2-5H,1H3,(H,8,9,10);4-5,8H,1,3H2/t;4-,5-/m.0/s1
InChIKey
InChIKey=TYCJUPDDHFBIBD-CKDWGAALSA-N
SMILES
C(#N)[C@@H]1C[C@H](F)CN1.S(=O)(=O)(O)C1=CC=C(C)C=C1
Canonical SMILES
N#CC1NCC(F)C1.O=S(=O)(O)C1=CC=C(C=C1)C
Other Names for this Substance
- 2-Pyrrolidinecarbonitrile, 4-fluoro-, (2S,4S)-, 4-methylbenzenesulfonate (1:1)
- 2-Pyrrolidinecarbonitrile, 4-fluoro-, (2S,4S)-, mono(4-methylbenzenesulfonate)
- (2S,4S)-4-Fluoropyrrolidine-2-carbonitrile p-methylbenzenesulfonate