4-(Trifluoromethylthio)benzoylacetonitrile CAS 914636-77-4
| CAS No. | 914636-77-4 |
| Molecular Formula | C10H6F3NOS |
| Molecular Weight | 245.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
4-(Trifluoromethylthio)benzoylacetonitrile (CAS 914636-77-4), molecular formula C10H6F3NOS and molecular weight 245.22 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-(Trifluoromethylthio)benzoylacetonitrile (C10H6F3NOS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 245.22 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.
As a certified reference material (CRM), 4-(Trifluoromethylthio)benzoylacetonitrile 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 | C10H6F3NOS |
| Molecular Weight | 245.22 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Trifluoromethylthio Standards
- N-(Trifluoromethylthio)phthalimide (CAS 719-98-2)
- 3-(Trifluoromethylthio)benzoyl chloride (CAS 51748-28-8)
- 4-(Trifluoromethylthio)benzoyl Chloride (CAS 330-14-3)
- Methyl 3-(trifluoromethylthio)pyrazine-2-carboxylate (CAS 1206524-66-4)
- Methyl 4-(trifluoromethylthio)benzoate (CAS 88489-60-5)
- 4-(Trifluoromethylthio)benzene-1-sulfonyl fluoride (CAS 883146-32-5)
- 3-Oxo-2-(trifluoromethylthio)butyric acid ethylester (CAS 42105-37-3)
- 3-(Trifluoromethylthio)nitrobenzene (CAS 370-47-8)
Recommended Standards
- 4-(Trifluoromethyl)benzo[b]thiophene-2-carboxamide (CAS 2377846-68-7)
- 6-(Trifluoromethyl)benzo[b]thiophene-2-carboxamide (CAS 2375008-67-4)
- 4-(Thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CAS 396-63-4)
- Ethyl (R)-2-(difluoromethylene)-5-oxotetrahydro-1H-pyrrolizine-7a(5H)-carboxylate (CAS 2852766-76-6)
- 7,9-Dimethylguanine Hemitosylate (CAS 12240-99-2)
- Methyl 3-(aminomethyl)-5,6,7,8-tetrahydroindolizine-1-carboxylate hydrochloride (CAS 2138114-65-3)
- [5-chloro-2-(4-methyl-1H-pyrazol-1-yl)phenyl]amine,HCl (CAS 1431963-25-5)
- 2-(Pyrrolidin-3-yl)-2H-1,2,3-triazole (CAS 1186300-55-9)
- 2-(Difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine-6-acetonitrile (CAS 1806175-11-0)
- (2R)-Methyl 2-acetamido-3-((4-chloro-5-methoxy-2-oxo-2,5-dihydrofuran-3-yl)thio)propanoate (CAS 142762-81-0)
- 3-Amino-1-(prop-2-yn-1-yl)quinolin-2(1H)-one (CAS 1420794-46-2)
- 1-((4-Methoxyphenyl)sulfonyl)piperazine (CAS 121751-67-5)
- 1-(trifluoromethyl)cyclopropane-1-carboxamide (CAS 1628184-67-7)
- HA Peptide (CAS 92000-76-5)
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