3-(Trifluoromethyl)benzyl thiocyanate CAS 102859-64-3
| CAS No. | 102859-64-3 |
| Molecular Formula | C9H6F3NS |
| Molecular Weight | 217.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution, 3-(Trifluoromethyl)benzyl thiocyanate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 217.21 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
CATO supplies 3-(Trifluoromethyl)benzyl thiocyanate (CAS 102859-64-3), a certified reference material (molecular formula C9H6F3NS, MW 217.21 g/mol) for analytical method development and quality control.
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.
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 | C9H6F3NS |
| Molecular Weight | 217.21 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.) | 1986 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Trifluoromethyl Standards
- 2-Methyl-3-(trifluoromethyl)phenylisothiocyanate (CAS 1000577-12-7)
- 4-Methyl-2-(trifluoromethyl)benzo[d]thiazole (CAS 1188157-40-5)
- 6-Methyl-2-(trifluoromethyl)benzo[d]thiazole (CAS 1188158-87-3)
- 7-Methyl-2-(trifluoromethyl)benzo[d]thiazole (CAS 1188226-80-3)
- 2-(Trifluoromethyl)benzyl thiocyanate (CAS 1233513-28-4)
- 5-Methyl-2-(trifluoromethyl)benzo[d]thiazole (CAS 124168-45-2)
- 2-Methyl-4-(trifluoromethyl)benzo[d]thiazole (CAS 1261598-43-9)
- 6-(Trifluoromethyl)benzo[b]thiophen-2-amine (CAS 1628546-77-9)
Recommended Standards
- 2-((4-(Difluoromethoxy)benzyl)amino)ethan-1-ol (CAS 1039820-38-6)
- 5-Sulfoanthranilic Acid (CAS 3577-63-7)
- [2-(difluoromethoxy)-3-ethoxyphenyl]methanamine (CAS 1099691-90-3)
- Methyl 3-Nitro Benzenesulfonate (CAS 6214-21-7)
- 3-Morpholine carboxylic acid (CAS 77873-76-8)
- 4-Amino-6-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (CAS 96740-67-9)
- Pentyl 2-chlorophenylsulfide (CAS 1447671-89-7)
- Methyl 5-(2,6-difluorophenyl)nicotinate (CAS 1229626-86-1)
- (R)-Methyl 3-Aminobutanoate Hydrochlorid (CAS 139243-54-2)
- 2-(5-Fluoro-2-methyl-1H-indol-3-yl)acetyl chloride (CAS 1707710-31-3)
- Ethyl 7-oxo-7,10-dihydro-1,10-phenanthroline-3-carboxylate (CAS 223664-67-3)
- N-Cyclohexyl-2-(diphenylphosphino)benzenemethanamine (CAS 815576-00-2)
- MK-6240 Precursor (CAS 1841444-11-8)
- a2,3-Sialylglycopeptide (CAS 189035-43-6)
Why CATO?
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