3,4-DICHLOROPHENYL ISOTHIOCYANATE CAS 6590-94-9
| CAS No. | 6590-94-9 |
| Molecular Formula | C7H3Cl2NS |
| Molecular Weight | 204.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 3,4-DICHLOROPHENYL ISOTHIOCYANATE (C7H3Cl2NS) contains a nitrile group, sulfur-containing functionality, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 204.08 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.
CATO supplies 3,4-DICHLOROPHENYL ISOTHIOCYANATE (CAS 6590-94-9), a certified reference material (molecular formula C7H3Cl2NS, MW 204.08 g/mol) for analytical method development and quality control.
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 | C7H3Cl2NS |
| Molecular Weight | 204.08 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.) | 1958 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related DICHLOROPHENYL Standards
- 2,3-Dichlorophenyl isothiocyanate (CAS 6590-97-2)
- 1-(2,4-dichlorophenyl)propan-1-amine (CAS 1141405-05-1)
- (R)-1-(3,5-dichlorophenyl)propan-1-amine (CAS 1212802-51-1)
- (S)-1-(3,5-dichlorophenyl)propan-1-amine (CAS 1213066-35-3)
- (S)-1-(2,6-dichlorophenyl)propan-1-amine (CAS 1213406-05-3)
- 2-(2,5-Dichlorophenyl)propan-1-amine (CAS 1225743-42-9)
- 1-(3,5-Dichlorophenyl)propan-1-amine (CAS 1270547-69-7)
- 2-(3,5-DICHLOROPHENYL)PROPAN-2-AMINE (CAS 129960-45-8)
Recommended Standards
- 2,7-Dichloro-1,3-benzothiazole (CAS 2942-23-6)
- 4,6-Dichlorobenzo[d]thiazole, 97% (CAS 854059-32-8)
- 2,6-Dichloro-1,3-benzothiazole (CAS 3622-23-9)
- 5,7-Dichlorobenzo[d]thiazole, 97% (CAS 939803-85-7)
- 2,2,4-Trimethylcyclopentanone (CAS 28056-54-4)
- (6-Amino-5-fluoropyridin-3-yl)boronic acid (CAS 1310404-43-3)
- Methyl 3-bromo-6-fluoropicolinate (CAS 1214324-98-7)
- Everolimus Impurity 25 (CAS CATO-C4X-112225)
- Ethyl Thiomorpholine-2-carboxylate Hydrochloride (CAS 1864060-93-4)
- 3-(4-Aminophenoxymethyl)benzonitrile hydrochloride (CAS 1251924-79-4)
- Methyl (2S)-2-(2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoate (CAS 1033882-29-9)
- 3-Amino-2-hydroxypyridine (CAS 59315-44-5)
- 6-(Hydroxymethyl)isobenzofuran-1(3H)-one (CAS 452978-21-1)
- Semaglutide Impurity 10 (CAS CATO-C4X-222610)
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