Chlorobenzoic acid, methyl ester
Compound with spectra: 12 NMR, 6 FTIR, 1 Raman, and 15 MS (GC)
| SpectraBase Compound ID | 972nIIBb2xe |
|---|---|
| InChI | InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3 |
| InChIKey | LXNFVVDCCWUUKC-UHFFFAOYSA-N |
| Mol Weight | 170.59 g/mol |
| Molecular Formula | C8H7ClO2 |
| Exact Mass | 170.013457 g/mol |
| Copyright | Copyright © 2012-2025 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
|---|---|
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SRH-2022-2632-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | AD-0-3051-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | QE-28-SM44-5ai (DOI: 10.1002/chem.202103669) |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | JZ-1992-5317-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | JZ-1992-739-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | UB-0-34-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | CR-286-0-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | JZ-1992-1449-0 |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Technique | KBr-Pellet |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | W. W. Simons, Bio-Rad Laboratories, Sadtler Division, Philadelphia, Pennsylvania |
| Technique | CAPILLARY CELL: MELT |
| 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 | 216089 |
| Technique | Melt |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | MCB Manufacturing Chemists, Norwood, Ohio |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCL3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| 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 | 216089 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CH3CN |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Acetone |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| 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 | 216089 |
| 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 | 216089 |
| 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 | 216089 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2017-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Catalog Number | 216089 |
- Methyl 4-chlorobenzoate
- 4-Chlorobenzoic acid methyl ester
- LXNFVVDCCWUUKC-UHFFFAOYSA-N
- 4-CHLORO-BENZOIC_ACID-METHYLESTER
- Benzoic acid, p-chloro-, methyl ester
- p-Chlorobenzoic acid, methyl ester
- Benzoic acid, 4-chloro-, methyl ester
- Methyl p-chlorobenzoate
- Methyl 4-chloranylbenzoate
- Methyl ester of p-chlorobenzoic acid
- EINECS 214-420-9
- NSC 8366
- AI3-23578
- Moclobemide-M
p-Hydroxybenzoic acid, methyl ester, sodium salt
p-Toluic acid, methyl ester
Methyl 4-bromobenzoate
Methyl 4-chlorobenzoselenoate
Chloromethyl benzoate
Benzoicacid,ethylester
4-Chlorobenzamide, N-methyl-
S-methyl 4-chlorobenzenecarbothioate
Methanol, oxo-, benzoate
2-(4-chlorophenyl)-2-keto-acetonitrile
| Title | Journal or Book | Year |
|---|---|---|
| Dimethylmalonyltrialkylphosphoranes: New General Reagents for Esterification Reactions Allowing Controlled Inversion or Retention of Configuration on Chiral Alcohols | The Journal of Organic Chemistry | 2003 |
| Correlation of oxygen-17 substituent-induced chemical shifts:Meta- andpara-substituted methyl benzoates | Magnetic Resonance in Chemistry | 1992 |
| 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:
KnowItAll GC-MS Library
Author: Wiley
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