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alpha-CHLORO-p-NITROTOLUENE

View entire compound with spectra: 13 NMR, 6 FTIR, 1 Raman, and 3 MS (GC)

alpha-CHLORO-p-NITROTOLUENE
SpectraBase Compound ID AUjcSUyBF1D
InChI InChI=1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
InChIKey KGCNHWXDPDPSBV-UHFFFAOYSA-N
Mol Weight 171.58 g/mol
Molecular Formula C7H6ClNO2
Exact Mass 171.008706 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3qAfr63vmnp
Name 4-Nitrobenzyl chloride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 140112
CAS Registry Number 100-14-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6ClNO2
InChI InChI=1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
InChIKey KGCNHWXDPDPSBV-UHFFFAOYSA-N
Molecular Weight 171.580 g/mol
Purity 99%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha-Chloro-4-nitrotoluene
Wiley ID SIAL_VP-FTIR_000685