4-Chlorobenzoic acid
Compound with spectra: 18 NMR, 4 FTIR, 1 Raman, and 24 MS (GC)
| SpectraBase Compound ID | C7xwMoP0zGZ |
|---|---|
| InChI | InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) |
| InChIKey | XRHGYUZYPHTUJZ-UHFFFAOYSA-N |
| Mol Weight | 156.57 g/mol |
| Molecular Formula | C7H5ClO2 |
| Exact Mass | 155.997807 g/mol |
| Copyright | Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| Solvent | DMSO-d6; Reference=TMS; Temperature 297K |
| Copyright | Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | DMSO-d6 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 135585 |
| Solvent | CDCl3 & DMSO-d6 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Source of Sample | Merck-Schuchardt Hohenbrunn |
| Technique | KBr-Pellet |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | The Matheson Company, Inc., East Rutherford, New Jersey |
| Technique | KBr WAFER |
| Copyright | Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Monsanto Chemical Company, St. Louis, Missouri |
| Solvent | Polysol; Reference=TMS Spectrometer= Varian CFT-20 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3/DMSO-D6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3/DMSO-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 135585 |
| Solvent | CDCl3 & DMSO-d6 |
| Copyright | Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique | GC/MS |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SRH-2022-5274-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SRH-2022-11221-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | AA-0-952-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | HE-1986-1523-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SRH-2022-1009-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | CCC-11-SM26-26-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | CCC-11-SM42-42-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | QA-46-81-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | NW-538-0-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | JC-554-286-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | JZ-1992-4979-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | CD-105-0-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | UB-0-35-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | JZ-1992-1344-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | M-17-780-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | IC-264-0-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | CCC-4-1995-21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CH3CN |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | Acetone |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | 135585 |
| Copyright | Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Catalog Number | 135585 |
- p-Chlorobenzoic acid
- para-Chlorobenzoic Acid
- XRHGYUZYPHTUJZ-UHFFFAOYSA-N
- BENZOIC ACID, P-CHLORO-,
- CHLORODRACYLIC ACID
- p-CARBOXYCHLOROBENZENE
- BENZOIC ACID, P-CHLORO-, /KBR/
- Benzoic acid,4-chloro-
- 4-Chlorobenzoic acid @
- Benzoic acid,3-chloro-
- Acemetacin-M (chlorobenzoic acid)
- Bezafibrate-M (chlorobenzoic acid)
- Indometacin-M (chlorobenzoic acid)
- Chlormezanone-M (chlorobenzoic acid)
- Moclobemide-M/artifact (chlorobenzoic acid)
| Title | Journal or Book | Year |
|---|---|---|
| 17O NMR Spectra of Carbonyl Compounds ArCOX: Influence of Groups X on the Polarity of the Carbonyl Group | Magnetic Resonance in Chemistry | 1997 |
| Oxygen-17 NMR Spectroscopy: Effect of Substituents on Chemical Shifts for o−m−p−Substituted Benzoic Acids, Phenylacetic and Methyl Benzoates | Spectroscopy Letters | 1986 |
| 17O NMR spectroscopy: Effect of substituents on chemical shifts forp-substituted benzoic acids, methyl benzoates, cinnamic acids and methyl cinnamates | Organic Magnetic Resonance | 1984 |
This compound is available in the following databases:
Sigma-Aldrich Library of Raman Spectra
Author: Wiley/Sigma-Aldrich
Wiley, on behalf of Merck KGaA Darmstadt, Germany, releases the Sigma-Aldrich Library of Raman Spectra, featuring over 6,480 high-quality Raman spectra. Learn more.
Mass Spectra of Designer Drugs 2024
Author: Peter Rösner
This library enables fast and reliable identification of the latest illegal designer drugs. It is updated annually. Learn more.
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley
The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.
KnowItAll Mass Spectral Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.
Maurer, Meyer, Pfleger, Weber: GC-MS Library of Drugs, Poisons, and Their Metabolites 6th Edition
Author: Hans H. Maurer, Markus Meyer, Karl Pfleger, Armin A. Weber
Identification of trace drugs, poisons, and pollutants requires broad coverage of specific compound classes: metabolites, acetylated, methylated, trimethylsilylated, trifluoroacetylated, pentafluoropropionylated, and heptafluorobutyrylated compounds. Learn more.
Wiley Registry of Mass Spectral Data 2023
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.