2,3-Butanediol, 2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)-, methanesulfonate (1:1)

CAS Registry Number®

1175536-50-1
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CAS Name

2,3-Butanediol, 2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)-, methanesulfonate (1:1)

Molecular Formula

C12H13F2N3O2.CH4O3S

Cite this Page

2,3-Butanediol, 2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)-, methanesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1175536-50-1 (retrieved 2024-09-10) (CAS RN: 1175536-50-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    173.5-174.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H13F2N3O2.CH4O3S/c1-8(18)12(19,5-17-7-15-6-16-17)10-3-2-9(13)4-11(10)14;1-5(2,3)4/h2-4,6-8,18-19H,5H2,1H3;1H3,(H,2,3,4)/t8-,12-;/m1./s1

InChIKey

InChIKey=RWPFLARVZWFRBO-DAIXLEOSSA-N

SMILES

[C@](CN1C=NC=N1)([C@@H](C)O)(O)C2=C(F)C=C(F)C=C2.S(C)(=O)(=O)O

Canonical SMILES

O=S(=O)(O)C.FC1=CC=C(C(F)=C1)C(O)(CN2N=CN=C2)C(O)C

Other Names for this Substance

  • 2,3-Butanediol, 2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)-, methanesulfonate (1:1)