4-(Trifluoromethyl)phenylisothiocyanate CAS 1645-65-4
| CAS No. | 1645-65-4 |
| Molecular Formula | C8H10F3NS |
| Molecular Weight | 209.23 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.
CATO supplies 4-(Trifluoromethyl)phenylisothiocyanate (CAS 1645-65-4), a certified reference material (molecular formula C8H10F3NS, MW 209.23 g/mol) for analytical method development and quality control.
Based on its molecular formula C8H10F3NS, 4-(Trifluoromethyl)phenylisothiocyanate contains a nitrile group, sulfur-containing functionality, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 209.23 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C8H10F3NS |
| Molecular Weight | 209.23 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Trifluoromethyl Standards
- 3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine (CAS 1186501-73-4)
- 2-(Trifluoromethyl)-7-azaspiro[3.5]nonan-2-ol (CAS 1251922-79-8)
- 9-(Trifluoromethyl)-3-azabicyclo[3.3.1]nonan-9-ol (CAS 1251925-02-6)
- 6-Trifluoromethyl-imidazo[1,2-a]pyridin-8-ylamine (CAS 1277178-02-5)
- 2-(Trifluoromethyl)-imidazo[1,2-a]pyridin-8-amine (CAS 185133-82-8)
- (3-(Trifluoromethyl)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol (CAS 2411421-32-2)
- 1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine, mixture of diastereomers (CAS 1539827-60-5)
- (2-((Trifluoromethyl)thio)pyrimidin-4-yl)methanamine (CAS 1312094-24-8)
Recommended Standards
- 2-(Methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid (CAS 1638760-13-0)
- 2-Amino-4-methyl-6-nitrobenzothiazole (CAS 16586-51-9)
- Methyl 4-aminothieno[2,3-d]pyrimidine-6-carboxylate (CAS 155087-15-3)
- tert-butyl N-(3,3-difluorobutyl)carbamate (CAS 1820686-72-3)
- 4,6-Dichloropicolinic acid (CAS 88912-25-8)
- Methyl 4-bromo-5-iodo-1H-pyrazole-3-carboxylate (CAS 190263-22-0)
- Bamaluzole (CAS 87034-87-5)
- 75410-53-6 Echinoside A Lanost-9(11)-en-18-oic acid, 12,17,20-trihydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1-3)-O-beta-D-glucopyranosyl-(1-4)-O-6-deoxy-beta-D-glucopyranosyl-(1-2)-4-O-sulfo-beta-D-xylopyranosyl)oxy)-, gamma-lactone, monosodium salt, (3beta,12alpha)- Holothurin A2 (3beta,12alpha)-12,17,20-Trihydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1-3)-O-beta-D-glucopyranosyl-(1-4)-O-6-deoxy-beta-D-glucopyranosyl-(1-2)-4-O-sulfo-beta-D-xylopyranosyl)-oxy)lanost-9(11)-en-18-oic acid gamma-lactone, monosodium salt (CAS 75410-53-6)
- Ethyl 2-(4-(4-isopropylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate (CAS 866149-33-9)
- 2-Chloro-7-iodo-6-methylthieno[3,2-d]pyrimidine (CAS 2033057-22-4)
- Resmetirom Impurity 21 (CAS 920509-34-8)
- 2-(6-Amino-4-methoxypyridin-2-yl)acetic acid (CAS 1393550-70-3)
- N-(4-Chloro-2-hydrazinylbenzo[d]thiazol-6-yl)-4-methylbenzenesulfonamide (CAS 1706439-75-9)
- Semaglutide impurity 43 (CAS CATO-C4X-222643)
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