3-((4-Chlorophenyl)thio)propanenitrile CAS 5307-86-8
| CAS No. | 5307-86-8 |
| Molecular Formula | C9H8ClNS |
| Molecular Weight | 197.68 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-((4-Chlorophenyl)thio)propanenitrile (CAS 5307-86-8) is a high-purity analytical reference standard with the molecular formula C9H8ClNS and a molecular weight of 197.68 g/mol.
Structurally, 3-((4-Chlorophenyl)thio)propanenitrile (C9H8ClNS) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. 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 197.68 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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), 3-((4-Chlorophenyl)thio)propanenitrile 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.) | 1958 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
- 2-((2-Chlorophenyl)thio)propanenitrile (CAS 18603-41-3)
- (R)-(-)-1-(4-Chlorophenyl)ethyl isothiocyanate (CAS 737000-80-5)
- (S)-(+)-1-(4-Chlorophenyl)ethyl isothiocyanate (CAS 737000-81-6)
- 2-(3-Chlorophenyl)ethylisothiocyanate (CAS 442689-72-7)
- 2-{[(4-chlorophenyl)methyl]sulfanyl}acetonitrile (CAS 21681-87-8)
- 1-(4-Chlorophenyl)cyclobutane-d6 Carbonitrile (CAS 1217114-23-2)
- n-(1-(2-Chlorophenyl)ethyl)propan-1-amine (CAS 1019449-48-9)
- n-(1-(2-Chlorophenyl)ethyl)propan-2-amine (CAS 1019596-46-3)
Recommended Standards
- 2-methylpyridine-3-sulfonyl chloride (CAS 872001-95-1)
- 3-methylpiperidine-1-sulfonyl chloride (CAS 627887-46-1)
- 2-Methylpiperidine-1-sulfonyl chloride (CAS 926188-59-2)
- 3-methylpyridine-2-sulfonyl chloride (CAS 281221-72-5)
- Ethyl 2-bromo-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxylate (CAS 2091132-83-9)
- N1-((4-Chlorophenyl)(2-(trifluoromethyl)phenyl)methyl)ethane-1,2-diamine (CAS 1098340-28-3)
- Hexetylamine Citrate (CAS 14601-95-7)
- Samarium(III) sodium (S)-2,2',2'',2'''-(propane-1,2-diylbis(azanetriyl))tetraacetate (CAS 1478704-03-8)
- (1-(1-Aminoethyl)cyclobutyl)methanol (CAS 1859761-35-5)
- 4'-Methyl-4-nitro-[1,1'-biphenyl]-3-carbaldehyde (CAS 1426814-89-2)
- 3-Fluorocyclobutane-1-carbaldehyde (CAS 1780295-33-1)
- 4-Bromo-1-(phenylsulfonyl)-1H-pyrrole-2-carbaldehyde (CAS 138371-99-0)
- Balamapimod (CAS 863029-99-6)
- Insulin Degludec Impurity 15 (CAS CATO-C4X-215715)
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