3-((3,4-Dichlorobenzyl)oxy)benzo[b]thiophene-2-carbonitrile CAS 320422-48-8
| CAS No. | 320422-48-8 |
| Molecular Formula | C16H9Cl2NOS |
| Molecular Weight | 334.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-((3,4-Dichlorobenzyl)oxy)benzo[b]thiophene-2-carbonitrile is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-((3,4-Dichlorobenzyl)oxy)benzo[b]thiophene-2-carbonitrile (CAS 320422-48-8), molecular formula C16H9Cl2NOS and molecular weight 334.22 g/mol, is a CATO reference standard with documented purity and traceability.
3-((3,4-Dichlorobenzyl)oxy)benzo[b]thiophene-2-carbonitrile (C16H9Cl2NOS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | C16H9Cl2NOS |
| Molecular Weight | 334.22 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Dichlorobenzyl Standards
- 3-((2,4-Dichlorobenzyl)oxy)benzo[b]thiophene-2-carbonitrile (CAS 303985-57-1)
- Methyl 1-(3,4-dichlorobenzyl)-1H-indole-3-carboxylate (CAS 701223-44-1)
- 5-(((2,6-Dichlorobenzyl)thio)methyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 344269-70-1)
- 1-(2,4-Dichlorobenzyl)-2-methyl-1H-benzo[d]imidazole-6-carboxylic acid (CAS 193010-16-1)
- Methyl 1-(2,4-dichlorobenzyl)-1H-indazole-3-carboxylate (CAS 252025-50-6)
- 1-(2,4-Dichlorobenzyl)-1H-indazole-3-carbohydrazide (CAS 252025-52-8)
- 3-(2,6-Dichlorobenzyl)-2-methyl-1-(4H-1,2,4-triazol-4-yl)pyridin-4(1H)-one (CAS 923200-01-5)
- 3-(2,4-Dichlorobenzyl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine (CAS 324008-82-4)
Recommended Standards
- 3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl dihydrogen phosphate (CAS 386285-65-0)
- 2-Benzyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole (CAS 937047-00-2)
- 3-[(2,6-Dichlorophenyl)methoxy]-1-benzothiophene-2-carbonitrile (CAS 303985-37-7)
- 2-(tert-Butylsulfonyl)-2-[2-(3,4-dichlorophenyl)hydrazono]acetonitrile (CAS 241127-24-2)
- Fmoc-D-His-OH (CAS 157355-79-8)
- (S)-5-(7-(4-(4-Isopropyl-4,5-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole (CAS 112270-43-6)
- 2-[4-(4-chlorobenzoyl)phenoxy]acetic acid (CAS 42017-94-7)
- 2-((Benzyl(oxetan-3-ylmethyl)amino)methyl)aniline (CAS 1021392-84-9)
- 1-Benzyl-3-methylpyrrolidin-3-amine (CAS 181114-76-1)
- 2-(2,2,2-Trifluoro-1-(2-fluorophenyl)ethoxy)acetic acid (CAS 1437456-10-4)
- (2-Amino-1,1-dimethyl-ethyl)-carbamic acid benzyl ester (CAS 850203-57-5)
- Polyacrylamide Methylbenzylidene Camphor (CAS 113783-61-2)
- 1-(4-(6-Fluorobenzo[d]thiazol-2-yl)piperazin-1-yl)pentan-1-one (CAS 897473-18-6)
- C-Peptide 1 (rat) (CAS 41475-27-8)
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