4-(Phenylthio)phthalonitrile CAS 77474-63-6
| CAS No. | 77474-63-6 |
| Molecular Formula | C14H8N2S |
| Molecular Weight | 236.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(Phenylthio)phthalonitrile is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-(Phenylthio)phthalonitrile (CAS 77474-63-6) is a high-purity analytical reference standard with the molecular formula C14H8N2S and a molecular weight of 236.29 g/mol.
The molecular framework of 4-(Phenylthio)phthalonitrile (C14H8N2S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C14H8N2S |
| Molecular Weight | 236.29 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1979 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Phenylthio Standards
- 3-(Phenylthio)phthalonitrile (CAS 51762-68-6)
- 5-((Phenylthio)methyl)-1,2,4-oxadiazole-3-carboxylic acid (CAS 1538332-85-2)
- 1-(3-(Phenylthio)propyl)piperazine (CAS 65489-00-1)
- 2-(Phenylthio)ethane-1-sulfonyl chloride (CAS 83594-06-3)
- 2-(Phenylthio)-1-(piperidin-1-yl)ethan-1-one (CAS 78365-67-0)
- 6-(Phenylthio)-5-thioxo-4,5-dihydro-1,2,4-triazin-3(2H)-one (CAS 32330-97-5)
- 4-(Phenylthio)isoquinoline (CAS 106510-95-6)
- 4-(Phenylthio)piperidine-4-carboxylic acid (CAS 1492596-68-5)
Recommended Standards
- 4-(Phenylsulfanyl)pyrazolidine-1,2-dicarbaldehyde (CAS 478248-74-7)
- 4,4'-Sulfonyldimorpholine (CAS 5328-68-7)
- 4-(3,4-Dimethoxy-phenyl)-thiazol-2-ylamine (CAS 51837-85-5)
- 4-Amino-5-(2-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 851879-31-7)
- 4,6-Dichloropyrimidine-5-carbonyl chloride (CAS 87600-97-3)
- 4-Bromo-3-(tert-butyl)-1-methyl-1H-pyrazole-5-carboxylic acid (CAS 685513-52-4)
- 6-Methoxypyrazine-2-boronic acid pinacol ester, 97% (CAS 960503-91-7)
- 1-Allylindoline-5-carbaldehyde (CAS 198195-11-8)
- 2-Bromopyrene (CAS 1714-27-8)
- (Z)-3-(2-Ethoxyphenyl)-2-(4-(3-nitrophenyl)thiazol-2-yl)acrylonitrile (CAS 476669-20-2)
- 1-[(4-Bromo-3-chlorophenyl)sulfonyl]piperazine (CAS 942473-64-5)
- Methyl 2-(2-(2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)acetoxy)benzoate (CAS 672950-97-9)
- (1S,3R)-3-(((benzyloxy)carbonyl)amino)-5-oxocyclohexane-1-carboxylic acid (CAS 2227198-06-1)
- Nonapeptide-1 (CAS 158563-45-2)
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