Isothiocyanic acid, p-chlorophenyl ester
Compound with spectra: 7 NMR, 5 FTIR, 1 Raman, and 2 MS (GC)
| SpectraBase Compound ID | Iac1vAq4TvV |
|---|---|
| InChI | InChI=1S/C7H4ClNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H |
| InChIKey | MZZVFXMTZTVUFO-UHFFFAOYSA-N |
| Mol Weight | 169.63 g/mol |
| Molecular Formula | C7H4ClNS |
| Exact Mass | 168.975298 g/mol |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Maybridge Chemical Company Ltd., North Cornwall, England |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |
| 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 | 253782 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| 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 | 253782 |
| Solvent | CDCl3 |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND |
| 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 | 253782 |
| Technique | Melt |
| 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 | 253782 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | JX-2015-6-10211 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | BJO-8-SM16-16-1 |
| 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 | 253782 |
| Copyright | Copyright © 2017-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Catalog Number | 253782 |
- 4-Chlor-phenyl-isothiocyanat
- MZZVFXMTZTVUFO-UHFFFAOYSA-N
- 4-Chloro-phenylisothiocyanate
- p-Chlorophenyl isothiocyanate
- Benzene, 1-chloro-4-isothiocyanato-
- 1-Chloro-4-isothiocyanatobenzene
- 1-Chloranyl-4-isothiocyanato-benzene
- Isothiocyanic acid, 4-chlorophenyl ester
4-Chlorophenylisocyanate
N-(4-chlorophenyl)methanimine
Isothiocyanic acid, p-phenylene ester
ABQKHKWXTUVKGF-UHFFFAOYSA-N
1-Chloro-4-nitroso-benzene
4-Chlorobenzenediazonium hexafluorophosphate
p-chloro-N-sulfinylaniline
syn-4-Chloro-phenyl-diazotate anion
1-Azido-4-chloro-benzene
[(p-chlorophenyl)azo]hydrocyanic acid
| Title | Journal or Book | Year |
|---|---|---|
| Carbon-13 NMR spectra of a series ofpara-substituted phenyl isothiocyanates. Linear free energy relationships for carbon-13 substituent chemical shifts | Organic Magnetic Resonance | 1982 |
This compound is available in the following databases:
KnowItAll IR Spectral Library
Author: Wiley
Wiley's KnowItAll IR Spectral Library offers access to the world's largest collection of high-quality infrared spectra, including the renowned Sadtler databases. 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.