5-(Tert-butyl)benzo[b]thiophene-2-carboxylic acid CAS 126231-21-8
| CAS No. | 126231-21-8 |
| Molecular Formula | C13H14O2S |
| Molecular Weight | 234.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C13H14O2S, 5-(Tert-butyl)benzo[b]thiophene-2-carboxylic acid contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 234.31 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
5-(Tert-butyl)benzo[b]thiophene-2-carboxylic acid (CAS 126231-21-8), molecular formula C13H14O2S and molecular weight 234.31 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.
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 | C13H14O2S |
| Molecular Weight | 234.31 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Sulfur Atoms | 1 |
Recommended Standards
- (4-Methoxy-2-methylphenyl)(thiophen-2-yl)methanol (CAS 1250973-45-5)
- 3-Methyl-2-(oxane-4-sulfinyl)butanoic acid (CAS 1310103-70-8)
- (2-Methoxy-5-methylthiophen-3-yl)(phenyl)methanol (CAS 1250157-26-6)
- 5-(4-(Methylthio)phenyl)cyclohexane-1,3-dione (CAS 144128-74-5)
- 6A-methyldihydrofuro[2,3-b]furan-2,5(3H,6aH)-dione (CAS 98546-44-2)
- 1-[(3-Chlorophenyl)methyl]-3'-phenyl-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione (CAS 338419-06-0)
- (S)-1-(3,4-difluorophenyl)-2-methylpropan-1-amine (CAS 1213926-18-1)
- Methyl 3-(4-fluoro-3-methoxyphenyl)benzoate (CAS 1411993-22-0)
- 2-Hydrazinyl-3,6-dimethylpyrimidin-4(3H)-one (CAS 3493-94-5)
- (E)-(3-Cyanoprop-1-en-1-yl)boronic acid (CAS 195379-24-9)
- H-Gly-βNA · HCl (CAS 1208-12-4)
- (5R,9R,E)-5-((5-Chloro-2-hydroxy-3-methoxybenzylidene)amino)-11-ethylidene-7-methyl-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridin-2(1H)-one (CAS 180694-97-7)
- 1-(3,5-Dimethylphenyl)piperidin-4-one (CAS 154913-18-5)
- Liraglutide Impurity 22 (CAS 536721-25-2)
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