2,6-Dichloro-3-methylphenyl Isothiocyanate CAS 1036587-85-5
| CAS No. | 1036587-85-5 |
| Molecular Formula | C8H5Cl2NS |
| Molecular Weight | 218.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C8H5Cl2NS, 2,6-Dichloro-3-methylphenyl Isothiocyanate contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 218.10 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
2,6-Dichloro-3-methylphenyl Isothiocyanate (CAS 1036587-85-5), molecular formula C8H5Cl2NS and molecular weight 218.10 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.
As a certified reference material (CRM), 2,6-Dichloro-3-methylphenyl 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 | C8H5Cl2NS |
| Molecular Weight | 218.10 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 |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Dichloro Standards
- 2,3-Dichloro-5-methylthieno[3,2-b]pyridine (CAS 170861-46-8)
- 1,3-Dichloro-2-(thiocyanatomethyl)benzene (CAS 7534-64-7)
- 1,5-Dichloro-2-isothiocyanato-3-methylbenzene (CAS 306935-83-1)
- 2,5-Dichloro-4-methyl-1,3-benzothiazole (CAS 887204-62-8)
- 2,6-Dichloro-4-methyl-1,3-benzothiazole (CAS 81561-05-9)
- 2,7-Dichloro-4-methyl-1,3-benzothiazole (CAS 80945-85-3)
- 4,5-Dichloro-2-methylbenzo[d]thiazole (CAS 40671-25-8)
- 4,6-Dichloro-3-methylthieno[2,3-b]pyridine (CAS 2137806-76-7)
Recommended Standards
- 2-((2,6-Dichlorophenyl)thio)acetonitrile (CAS 103575-34-4)
- 4,4,6-Trimethyl-2-(p-tolyl)-1,3,2-dioxaborinane (CAS 1092060-77-9)
- 2-((2,5-Dichlorophenyl)thio)acetonitrile (CAS 103574-72-7)
- 7-Chloro-2-chloromethylbenzo[d]thiazole, 97% (CAS 1095500-11-0)
- 1,1-Di-p-tolylprop-2-yn-1-ol (CAS 93318-88-8)
- 5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CAS 1256358-91-4)
- 4-(tert-Butyl)-3-cyclopropoxy-5-ethylpyridine (CAS 1243463-07-1)
- 4-(1,1-Difluoroethyl)cyclohexan-1-one (CAS 1205751-18-3)
- 2-(3-Chloro-4-fluorophenyl)-1,2-benzisothiazol-3(2H)-one (CAS 565166-89-4)
- 4-(Hydroxymethyl)-3-azabicyclo[3.1.0]Hexan-2-one (CAS 1263285-61-5)
- 3-Nitroimidazo[1,2-a]pyridine-5-carbaldehyde (CAS 429690-44-8)
- (e)-2-Morpholino-3-(4-nitrobenzylidene)cyclopent-1-ene-1-carbaldehyde (CAS 327106-89-8)
- Roflumilast Impurity 35 (CAS CATO-C4X-108435)
- Semaglutide impurity 40 (CAS CATO-C4X-222640)
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