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4-Chloro-3,5-dinitro-benzoic acid

Compound with spectra: 9 NMR, 3 FTIR, 1 Raman, and 1 MS (GC)

4-Chloro-3,5-dinitro-benzoic acid
SpectraBase Compound ID 9LNY5i2g6dx
InChI InChI=1S/C7H3ClN2O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,(H,11,12)
InChIKey PCTFIHOVQYYAMH-UHFFFAOYSA-N
Mol Weight 246.56 g/mol
Molecular Formula C7H3ClN2O6
Exact Mass 245.967964 g/mol

View Spectrum of 4-Chloro-3,5-dinitro-benzoic acid

1H NMR Spectrum
Copyright Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Solvent DMSO-d6; Reference=TMS; Temperature 297K

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1H NMR Spectrum
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Solvent Acetone

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1H NMR Spectrum
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Solvent DMSO-d6

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1H NMR Spectrum
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Solvent CDCl3

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1H NMR Spectrum
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number C38907
Solvent DMSO-d6

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13C NMR Spectrum
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20

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13C NMR Spectrum
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300

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13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.

View Spectrum of 4-Chloro-3,5-dinitro-benzoic acid

13C NMR Spectrum
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number C38907
Solvent DMSO-d6

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Raman Spectrum
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.

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FTIR Spectrum
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Technique KBr WAFER

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FTIR Spectrum
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number C38907
Technique Mull

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum W5-0-0-0

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ATR-IR Spectrum
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number C38907
  • Benzoic acid, 4-chloro-3,5-dinitro-
  • PCTFIHOVQYYAMH-UHFFFAOYSA-N
  • 4-Chloro-3,5-dinitrobenzoate
  • 3,5-Dinitro-4-chlorobenzoic acid
  • EINECS 204-290-1
  • NSC 76583
3,5-Dinitro-p-toluic acid
2-Methyl-4,6-dinitrochlorobenzene
Methyl 3-Amino-4-chloro-5-nitrobenzoate
4-Iodo-3-nitroethylbenzoate
1,2-Dichloro-3,5-dinitrobenzene
1-Propanamine, 3-(triethoxysilyl)-, salt with 2,4,6-trinitrophenol
Benzyldiethylsulfonium picrate
4-CHLORO-2-FLUORO-5-NITRO-BENZOIC-ACID
Methyl 3-Amino-4-bromo-5-nitrobenzoate
2,4-DINITRO-6-FLUOROPHENOL
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