2,4-Dichlorobenzoyl isothiocyanate CAS 71404-25-6
| CAS No. | 71404-25-6 |
| Molecular Formula | C8H3Cl2NOS |
| Molecular Weight | 232.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 232.09 g/mol gives 2,4-Dichlorobenzoyl isothiocyanate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2,4-Dichlorobenzoyl isothiocyanate (CAS 71404-25-6), molecular formula C8H3Cl2NOS and molecular weight 232.09 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2,4-Dichlorobenzoyl isothiocyanate (C8H3Cl2NOS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 232.09 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.
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.
As a certified reference material (CRM), 2,4-Dichlorobenzoyl isothiocyanate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C8H3Cl2NOS |
| Molecular Weight | 232.09 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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.) | 1977 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Dichlorobenzoyl Standards
- 3,4-dichlorobenzoyl isothiocyanate (CAS 6954-85-4)
- 4-(2,4-Dichlorobenzoyl)-2-methylpyridine (CAS 1187165-44-1)
- 3-(2,6-Dichlorobenzoyl)-1h-pyrrole (CAS 893612-69-6)
- 2-(2,4-Dichlorobenzoyl)oxazole (CAS 898760-56-0)
- 2-(3,4-Dichlorobenzoyl)oxazole (CAS 898784-26-4)
- 3-(2,5-Dichlorobenzoyl)oxolane (CAS 1248215-19-1)
- 3-(2,3-Dichlorobenzoyl)-propionic Acid (CAS 32003-41-1)
- 3-(2,4-Dichlorobenzoyl)propionic Acid (CAS 58457-57-1)
Recommended Standards
- 2-(4-Bromo-2-fluorophenyl)propan-2-amine (CAS 877130-14-8)
- 2-Bromo-4-(tert-butyl)-6-fluoropyridine (CAS 2259647-29-3)
- 1-(4-bromo-2-fluorophenyl)propan-2-amine (CAS 910409-78-8)
- 2-Bromo-4-fluoro-6-isopropylaniline (CAS 2260959-41-7)
- (<I>S</I>)-4-benzylthiazoline-2-thione (CAS 171877-39-7)
- 1-(bromomethyl)-1-ethoxycyclobutane (CAS 2031259-09-1)
- 1-Tert-butyl 3-ethyl 4-oxoazepane-1,3-dicarboxylate (CAS 98977-37-8)
- 6-Chloropyridine-2-acetonitrile (CAS 75279-60-6)
- Xantphos based ligand (CAS 349100-75-0)
- 2-methylindolin-7-amine (CAS 55899-44-0)
- 4-{[5,7-bis(trifluoromethyl)[1,8]naphthyridin-2-yl]oxy}benzenol (CAS 303996-31-8)
- 2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridine (CAS 2245763-42-0)
- 2-Bromo-5-(methoxycarbonyl)benzoic acid (CAS 1621912-33-1)
- Semaglutide impurity 25 (CAS CATO-C4X-222625)
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