2-((4-Chlorophenyl)thio)cyclohex-1-ene-1-carboxylic acid CAS 878612-93-2
| CAS No. | 878612-93-2 |
| Molecular Formula | C13H13ClO2S |
| Molecular Weight | 268.76 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system, 2-((4-Chlorophenyl)thio)cyclohex-1-ene-1-carboxylic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 268.76 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
2-((4-Chlorophenyl)thio)cyclohex-1-ene-1-carboxylic acid (CAS 878612-93-2), molecular formula C13H13ClO2S and molecular weight 268.76 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 2-((4-Chlorophenyl)thio)cyclohex-1-ene-1-carboxylic acid 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.
Physical & Chemical Properties
| Molecular Formula | C13H13ClO2S |
| Molecular Weight | 268.76 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
- 1-(2-((4-Chlorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethan-1-one (CAS 851801-45-1)
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- 1-(2-((3-Chlorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethan-1-one (CAS 851807-95-9)
- 2-Chloromethyl-7-methyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 728908-04-1)
- Methyl 1-cyano-3-methylcyclobutane-1-carboxylate (CAS 1343983-86-7)
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- Prizidilol (CAS 59010-44-5)
- 3-Chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CAS 312922-09-1)
- Borate(1-), hydro-d-tris(2,4,6-trifluorophenyl)-, potassium (CAS 1450733-22-8)
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- 1,4-diazabicyclo[3.2.2]nonane;dihydrochloride (CAS 150208-70-1)
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