1-Chloro-4-(1-isothiocyanatoethyl)benzene CAS 86841-89-6
| CAS No. | 86841-89-6 |
| Molecular Formula | C9H8ClNS |
| Molecular Weight | 197.68 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-Chloro-4-(1-isothiocyanatoethyl)benzene (C9H8ClNS) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
1-Chloro-4-(1-isothiocyanatoethyl)benzene (CAS 86841-89-6), molecular formula C9H8ClNS and molecular weight 197.68 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), 1-Chloro-4-(1-isothiocyanatoethyl)benzene 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 | C9H8ClNS |
| Molecular Weight | 197.68 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.) | 1981 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 2-Chloro-5,6-dimethyl-1,3-benzothiazole (CAS 104076-80-4)
- 5-Chloro-2-ethylbenzo[d]thiazole (CAS 107611-11-0)
- 5-Chloro-2,4-dimethyl-benzothiazole (CAS 113571-08-7)
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Recommended Standards
- 1-Chloro-2-isothiocyanato-3,5-dimethylbenzene (CAS 871909-88-5)
- 2-(3-Chlorophenyl)ethylisothiocyanate (CAS 442689-72-7)
- 1-((Chloromethyl)sulfonyl)piperidine (CAS 90445-23-1)
- 2-{[(4-chlorophenyl)methyl]sulfanyl}acetonitrile (CAS 21681-87-8)
- 1-(6-Methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)ethanone (CAS 59026-74-3)
- 2-chloro-7-fluoro-3,4-dihydroquinazolin-4-one (CAS 1107694-77-8)
- N-(4-Methylthiazol-2-yl)-2-phenyl-2H-tetrazole-5-carboxamide (CAS 1396786-50-7)
- 3-((4-Fluorophenyl)thio)propan-1-amine hydrochloride (CAS 1158224-25-9)
- Ticagrelor Impurity 73 D-Tartrate (CAS CATO-C4X-109373)
- 4-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-amine (CAS 33386-20-8)
- (3,5-Dimethyl-1-propyl-1H-pyrazol-4-yl)boronic acid (CAS 1350513-45-9)
- 2-(2-Ethylidenehydrazinyl)-1-methyl-1H-benzo[d]imidazole (CAS 344416-96-2)
- Flurbiprofen Impurity 17 (Mixture of Diastereomers) (CAS CATO-C4X-144477)
- Antistasin-Related Peptide (CAS 161561-46-2)
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