{5-chloro-1-methyl-3-[(phenylsulfanyl)methyl]-1H-pyrazol-4-yl}methyl N-(3,4-dichlorophenyl)carbamate CAS 400087-20-9
| CAS No. | 400087-20-9 |
| Molecular Formula | C19H16Cl3N3O2S |
| Molecular Weight | 456.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of {5-chloro-1-methyl-3-[(phenylsulfanyl)methyl]-1H-pyrazol-4-yl}methyl N-(3,4-dichlorophenyl)carbamate is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies {5-chloro-1-methyl-3-[(phenylsulfanyl)methyl]-1H-pyrazol-4-yl}methyl N-(3,4-dichlorophenyl)carbamate (CAS 400087-20-9), a certified reference material (molecular formula C19H16Cl3N3O2S, MW 456.77 g/mol) for analytical method development and quality control.
Structurally, {5-chloro-1-methyl-3-[(phenylsulfanyl)methyl]-1H-pyrazol-4-yl}methyl N-(3,4-dichlorophenyl)carbamate (C19H16Cl3N3O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 456.77 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C19H16Cl3N3O2S |
| Molecular Weight | 456.77 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related chloro Standards
- 3-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-1-[(1E)-({[3-(trifluoromethyl)phenyl]methoxy}amino)methylidene]thiourea (CAS 477873-19-1)
- 5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-N-[(phenylcarbamoyl)amino]-4,5-dihydro-1,2-oxazole-3-carboxamide (CAS 338399-32-9)
- 2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-N-(3-methoxybenzyl)-1-methyl-1H-imidazole-5-carboxamide (CAS 339278-17-0)
- 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-5-[(E)-2-[(4-fluorophenyl)amino]ethenyl]-1,2-thiazole-4-carbonitrile (CAS 338413-05-1)
- 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)-N-(3,5-dimethylphenyl)benzenesulfonamide (CAS 338775-29-4)
- 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}-N-(2,3-dimethylphenyl)benzene-1-sulfonamide (CAS 338775-36-3)
- 2-Chloro-N'-(2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-6-carbonyl)benzenesulfonohydrazide (CAS 866137-85-1)
- 3-(3-((2-Chloro-6-fluorobenzyl)oxy)phenyl)-1-tosyl-1H-pyrazole (CAS 477712-64-4)
Recommended Standards
- Delafloxacin Impurity 30 (CAS CATO-C4X-263730)
- 2-((3-((m-Tolylamino)methyl)-1H-1,2,4-triazol-5-yl)thio)-N-(2,4,6-trichlorophenyl)acetamide (CAS 332128-48-0)
- (2E)-3-{4-[(4-bromophenyl)methoxy]phenyl}-N-[(4-chlorophenyl)methyl]prop-2-enamide (CAS 477889-47-7)
- 1-[(4-Chlorophenyl)sulfanyl]-4-{[(2,6-dichlorophenyl)sulfanyl]methyl}-2-nitrobenzene (CAS 477869-65-1)
- Thalidomide 4'-ether-alkylC2-amine (hydrochloride) (CAS 2341840-99-9)
- 1H-pyrazolo[3,4-b]pyridin-3-ylmethanamine (CAS 1155846-90-4)
- 1-(Difluoromethyl)-4-iodo-3,5-dimethyl-1H-pyrazole (CAS 956477-73-9)
- 5-(3,5-Difluorophenyl)-4,5-dihydro-1H-pyrazole (CAS 2049868-30-4)
- Sertraline Impurity 66 (CAS CATO-C4X-134466)
- 3,5-Dichloro-2,6-difluoropyridin-4-amine (CAS 2840-00-8)
- N-(2-(Pyridin-4-yl)ethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (CAS 1286728-28-6)
- 5-(1-Ethyl-1h-1,2,4-triazol-5-yl)-2,4-difluoroaniline (CAS 1250646-28-6)
- Osimertinib Impurity 80 (CAS CATO-C4X-204580)
- Des-Ile17-Tirzepatide (CAS CATO-CPTD788956)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com