3-(trifluoromethyl)benzoyl isothiocyanate CAS 100663-25-0
| CAS No. | 100663-25-0 |
| Molecular Formula | C9H4F3NOS |
| Molecular Weight | 231.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 3-(trifluoromethyl)benzoyl isothiocyanate 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.
3-(trifluoromethyl)benzoyl isothiocyanate (CAS 100663-25-0) is a high-purity analytical reference standard with the molecular formula C9H4F3NOS and a molecular weight of 231.19 g/mol.
The molecular framework of 3-(trifluoromethyl)benzoyl isothiocyanate (C9H4F3NOS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C9H4F3NOS |
| Molecular Weight | 231.19 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, water (slightly soluble) |
| 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.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related trifluoromethyl Standards
- 2-(Trifluoromethyl)benzo[d]thiazole-6-carbaldehyde (CAS 933693-18-6)
- 4-(trifluoromethyl)benzoyl isothiocyanate (CAS 880483-26-1)
- 1'-Methyl-5'-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-5-amine (CAS 1024594-42-0)
- 3-Methyl-6-(trifluoromethyl)imidazo[2,1-b]thiazole-5-carbonitrile (CAS 1823346-57-1)
- 2-Methyl-6-(trifluoromethyl)imidazo[2,1-b]thiazole-5-carbonitrile (CAS 1823944-10-0)
- 2-Ethyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6(7H)-one (CAS 1018126-37-8)
- 3-(4-(Trifluoromethyl)phenyl)morpholine (CAS 1024174-16-0)
- 1-(6-(Trifluoromethyl)pyridin-2-yl)cyclopropane-1-carboxylic acid (CAS 1060811-00-8)
Recommended Standards
- Flumazenil Impurity 13 (CAS CATO-C4X-143213)
- 3-(4-Fluorophenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one (CAS 1031558-09-4)
- Emtricitabine impurity 54 (CAS 145397-26-8)
- 3-(3-Fluorophenyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol (CAS 1082528-81-1)
- Methyl 2-(4-methyl-1,3-thiazol-2-yl)acetate (CAS 117840-81-0)
- 5-(3,4,5-Trifluorophenyl)isoxazol-3-amine (CAS 1496288-69-7)
- Ethyl(quinolin-2-ylmethyl)amine dihydrochloride (CAS 1269151-18-9)
- (2-Bromocyclopent-1-en-1-yl)boronic acid (CAS 612833-43-9)
- (3-Fluoro-4-methylthiophen-2-yl)(phenyl)methanol (CAS 1250588-00-1)
- 1-(Tert-butylamino)-3-((2-fluorobenzyl)oxy)propan-2-ol (CAS 782452-47-5)
- 2-(2-Aminoethoxy)acetamide (CAS 137089-45-3)
- 2-Methylimidazo[1,2-a]pyridin-8-ylamine hydrochloride (CAS 173159-45-0)
- α-Naphthyl acid phosphate monosodium salt (CAS 2650-44-4)
- Lixisenatide (CAS 320367-13-3)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com