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2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate

View entire compound with spectra: 2 FTIR, and 1 Raman

2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate
SpectraBase Compound ID KlEanIc2tnu
InChI InChI=1S/C8H3ClF3NS/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-3H
InChIKey KHTMKXDMVYHDSY-UHFFFAOYSA-N
Mol Weight 237.63 g/mol
Molecular Formula C8H3ClF3NS
Exact Mass 236.962682 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID K4N90VaPC3s
Name 2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number L13016
Lot Number 10109510
CAS Registry Number 23165-49-3
Color Properties Orange
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H3ClF3NS
InChI InChI=1S/C8H3ClF3NS/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-3H
InChIKey KHTMKXDMVYHDSY-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Molecular Weight 237.627 g/mol
Purity 97%
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)