benzothiophene-3-carbonyl chloride CAS 39827-12-8
| CAS No. | 39827-12-8 |
| Molecular Formula | C9H13ClOS |
| Molecular Weight | 204.72 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of benzothiophene-3-carbonyl chloride is closely related to sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
benzothiophene-3-carbonyl chloride (CAS 39827-12-8), molecular formula C9H13ClOS and molecular weight 204.72 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, benzothiophene-3-carbonyl chloride (C9H13ClOS) contains sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 204.72 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C9H13ClOS |
| Molecular Weight | 204.72 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1968 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
Related benzothiophene Standards
- 1-benzothiophene-5-carbonyl chloride (CAS 1128-89-8)
- Ethyl 1-benzothiophene-2-carboxylate (CAS 17890-55-0)
- 3-Ethyl-1-benzothiophene-2-carboxylic acid (CAS 27508-24-3)
- 2-methyl-1-benzothiophene-6-carboxylic acid (CAS 18781-41-4)
- 2-methyl-1-benzothiophene-7-carboxylic acid (CAS 75288-80-1)
- 6-Methyl-1-benzothiophene-3-carbonyl chloride (CAS 1160248-90-7)
- 1-Benzothiophene-2-sulfonamide (CAS 123126-59-0)
- 1-Benzothiophene-7-sulfonamide (CAS 1528838-62-1)
Recommended Standards
- 5-chloro-1-benzothiophene-2-carbaldehyde (CAS 28540-51-4)
- 1-(3-Chlorophenyl)piperazine-d8 (CAS 1189923-43-0)
- 4-Chloro-N-(2-methylbutan-2-yl)-1,3-thiazol-2-amine (CAS 1549100-12-0)
- (+)-Chloromethylmenthyl (CAS 103128-76-3)
- 3-Methyl-1-phenyl-4-(thiophene-2-carbonyl)-1H-pyrazol-5(4H)-one (CAS 29665-05-2)
- tert-Butyl (5-bromo-2-methylphenyl)(methyl)carbamate (CAS 1187928-50-2)
- 2-(Diethylamino)malondianilide (CAS 110377-54-3)
- N1-Cyclohexyl-N3-ethyl-N1-methyl-1,3-propanediamine (CAS 1040691-47-1)
- 2-(Dichloromethyl)-4-methylpyridine (CAS 88237-12-1)
- Cefamandole Impurity 33 (CAS CATO-C4X-122133)
- N1-Boc-2-methyl-1,2-propanediamine (CAS 95034-05-2)
- 7-Bromo-1-cyclohexyl-1,2,3-benzotriazole-5-carbonitrile (CAS 1426958-38-4)
- (S)-4-Methoxy-3-methyl-4-oxobutanoic acid (CAS 111266-16-1)
- Semaglutide impurity 94 (CAS CATO-C4X-222694)
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