3-(4-Chlorobenzoyl)-4,4-bis(methylthio)but-3-enenitrile CAS 77147-93-4
| CAS No. | 77147-93-4 |
| Molecular Formula | C13H12ClNOS2 |
| Molecular Weight | 297.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO manufactures 3-(4-Chlorobenzoyl)-4,4-bis(methylthio)but-3-enenitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
3-(4-Chlorobenzoyl)-4,4-bis(methylthio)but-3-enenitrile (CAS 77147-93-4) is a high-purity analytical reference standard with the molecular formula C13H12ClNOS2 and a molecular weight of 297.82 g/mol.
The molecular framework of 3-(4-Chlorobenzoyl)-4,4-bis(methylthio)but-3-enenitrile (C13H12ClNOS2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
Physical & Chemical Properties
| Molecular Formula | C13H12ClNOS2 |
| Molecular Weight | 297.82 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1979 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
Related Chlorobenzoyl Standards
- 1-(1-(4-Chlorobenzoyl)-1H-indol-3-yl)ethan-1-one (CAS 336188-01-3)
- 3-(4-Chlorobenzoyl)-2-methylindolizine-1-carbaldehyde (CAS 685891-13-8)
- 1-(7-(4-Chlorobenzoyl)pyrrolo[1,2-b]pyridazin-5-yl)ethanone (CAS 302913-53-7)
- 1-(4-Chlorobenzoyl)-3-phenyl-1,4,5,6-tetrahydropyridazine (CAS 339015-73-5)
- {2-[(4-Chlorobenzoyl)amino]-1,3-thiazol-4-yl}acetic acid (CAS 255874-78-3)
- Methyl 5-(4-chlorobenzoyl)-2-imino-2,3-dihydrothiazole-4-carboxylate (CAS 941868-44-6)
- Ethyl (2-(4-chlorobenzoyl)hydrazine-1-carbonyl)glycinate (CAS 1228650-21-2)
- 2-(2-Chlorobenzoyl)-3-phenylisoxazol-5(2H)-one (CAS 303987-07-7)
Recommended Standards
- 2-Chloro-1-[4-(thiophen-2-yl)-4h,5h,6h,7h-thieno[3,2-c]pyridin-5-yl]ethan-1-one (CAS 924084-26-4)
- 3-(4-Chlorophenyl)-N-methyl-5-(methylthio)thiophene-2-carboxamide (CAS 477857-91-3)
- 2-Chloro-N-(2,6-diethylphenyl)-N-(propoxymethyl)acetamide, 95% (CAS 67535-25-5)
- tert-Butyl (R)-N-benzyl-N-(2-chloropropyl)glycinate (CAS 888494-24-4)
- 4,4-Bis(diethoxyphosphoryl)butan-1-ol (CAS 150250-34-3)
- 4-Ethoxy-1-(4-iodobenzyl)-1H-pyrazole (CAS 1881678-86-9)
- 3-Bromo-2-chloropyridin-4-ol (CAS 1211519-66-2)
- 4-(1,3-Dioxaindan-5-yl)-2-methyl-5-(thiophen-2-yl)-2,3-dihydro-1h-pyrazol-3-imine (CAS 1354960-92-1)
- Ethyl 2-(6-(3-methoxyphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetate (CAS 1011392-42-9)
- 5-Cyano-4-hydroxyquinazoline (CAS 1260658-66-9)
- N,N'-(3-fluoro-4-methyl-8-oxo-5,6,7,8-tetrahydronaphthalene-1,7-diyl)diacetamide (CAS 143655-70-3)
- 6-Fluoroisoquinoline-1-carbonitrile (CAS 1427501-46-9)
- Rocuronium Impurity 9 (CAS CATO-C4X-12429)
- Pheromone Biosynthesis Activating Neuropeptide (Helicoverpa assulta, Heliothis zea) (CAS 122071-54-9)
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