1,3-Phenylene diisothiocyanate CAS 3125-77-7
| CAS No. | 3125-77-7 |
| Molecular Formula | C8H4N2S2 |
| Molecular Weight | 192.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 192.26 g/mol gives 1,3-Phenylene diisothiocyanate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1,3-Phenylene diisothiocyanate (CAS 3125-77-7) is a high-purity analytical reference standard with the molecular formula C8H4N2S2 and a molecular weight of 192.26 g/mol.
Based on its molecular formula C8H4N2S2, 1,3-Phenylene diisothiocyanate contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 192.26 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).
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 | C8H4N2S2 |
| Molecular Weight | 192.26 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Phenylene Standards
- 1,2-Phenylene diisothiocyanate (CAS 71105-17-4)
- 1,1'-(1,3-Phenylene)bis(N,N-dimethylmethanamine) (CAS 19851-44-6)
- 3,3'-(1,3-Phenylene)bis(propan-1-amine) (CAS 31748-67-1)
- 3,3'-(1,4-Phenylene)bis(propan-1-amine) (CAS 31748-75-1)
- 2,2'-(1,2-Phenylene)diacetamide (CAS 7500-54-1)
- 2,2′-(1,4-Phenylene)diacetamide (CAS 30038-76-7)
- o-Phenylene Phosphorochloridate (CAS 1499-17-8)
- 1,3-Phenylene diacetate (CAS 108-58-7)
Recommended Standards
- 1,3-Dimethyl-2-(oxepin-2-yl)imidazolidine (CAS 77023-17-7)
- 1-Amino-3-(isoindolin-2-yl)propan-2-ol (CAS 933713-75-8)
- 1,3-BIS(2-METHYLBUT-3-YN-2-YL)UREA (CAS 63989-51-5)
- 1-Cyclohexyl-2-(1H-imidazol-1-yl)ethanone (CAS 89175-15-5)
- 4-(Methylthio)-6-(pyridin-3-yl)-1,3,5-triazin-2-amine (CAS 175204-62-3)
- 3-(Tert-butyl) 1-methyl (R)-piperazine-1,3-dicarboxylate (CAS 1337905-95-9)
- (1R,2R)-2-(pyrrolidin-1-yl)cyclohexan-1-ol (CAS 14909-81-0)
- Afatinib Impurity 39 (CAS 1117-71-1)
- 3-fluoro-2-(prop-1-en-2-yl)furan (CAS 2918965-18-9)
- n-((4-Bromothiophen-2-yl)methyl)-2-methylcyclohexan-1-amine (CAS 1039835-67-0)
- 2-Ethyl-7-nitro-9H-benzo[e][1,2,4]triazolo[5,1-b][1,3]thiazin-9-ol (CAS 663206-23-3)
- 5-(5-(Naphthalen-2-yl)oxazol-2-yl)isobenzofuran-1,3-dione (CAS 66788-90-7)
- 4-Cyclohexyl-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 38942-57-3)
- Pancreatic Polypeptide (bovine) (CAS 179986-89-1)
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