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.C5H7FN2

Cite 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 2024-08-21) (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