6-(Trifluoromethyl)-1h-1,3-benzodiazole-2-thiol CAS 86604-73-1
| CAS No. | 86604-73-1 |
| Molecular Formula | C8H5F3N2S |
| Molecular Weight | 218.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 6-(Trifluoromethyl)-1h-1,3-benzodiazole-2-thiol.
6-(Trifluoromethyl)-1h-1,3-benzodiazole-2-thiol (CAS 86604-73-1), molecular formula C8H5F3N2S and molecular weight 218.20 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution, 6-(Trifluoromethyl)-1h-1,3-benzodiazole-2-thiol is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 218.20 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C8H5F3N2S |
| Molecular Weight | 218.20 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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.) | 1981 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Trifluoromethyl Standards
- 6-((Trifluoromethyl)thio)-1H-indazole (CAS 105391-72-8)
- 4-Methyl-6-((trifluoromethyl)thio)nicotinonitrile (CAS 1204234-83-2)
- 4-(Trifluoromethyl)benzo[d]isothiazol-3-amine (CAS 1379356-60-1)
- (R)-2-(Trifluoromethyl)pyrrolidine-1-sulfonamide (CAS 1389310-03-5)
- (S)-1-((Trifluoromethyl)sulfonyl)pyrrolidin-3-amine (CAS 1568163-85-8)
- (R)-1-((Trifluoromethyl)sulfonyl)pyrrolidin-3-amine (CAS 1568225-76-2)
- 1-((Trifluoromethyl)sulfonyl)piperazine (CAS 89245-14-7)
- 2-(Trifluoromethyl)benzo[d]thiazol-4-amine (CAS 58460-21-2)
Recommended Standards
- 5-Fluoro-2-(methylsulfonyl)benzoic acid (CAS 773873-55-5)
- 6-(Trifluoromethyl)benzo[d]isothiazol-3-amine (CAS 657348-87-3)
- 5-6-O-Isopropylidene-L-gulonic acid-1-4-lactone (CAS 94697-68-4)
- 6-O-2-Propyn-1-yl-D-galactose (CAS 881895-59-6)
- Potassium 2-benzyl-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5-sulfonate (CAS 1419321-16-6)
- 2-Methyl-1-penten-3-ol (CAS 2088-07-5)
- 3,4-Dimethylphenylboronic Acid (CAS 55499-43-9)
- N-(1-(1H-benzo[d][1,2,3]triazol-1-yl)-2-methylpropyl)-4-methylbenzenesulfonamide (CAS 124984-83-4)
- 1-(4-Chlorophenyl)-2-({5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethan-1-one (CAS 303988-42-3)
- N-(4-(2-Oxo-2-(pyrrolidin-1-yl)ethyl)phenyl)acetamide (CAS 1009905-97-8)
- 5-Bromo-1,3-diphenyl-1H-pyrazole (CAS 1188115-46-9)
- 4-(trifluoromethoxy)biphenyl 4-Trifluoromethoxy-biphenyl 71274-84-5 (CAS 71274-84-5)
- 3,3',5,5'-Tetraethyl-[1,1'-biphenyl]-4,4'-diamine dihydrochloride (CAS 112863-92-0)
- Semaglutide impurity 39 (CAS CATO-C4X-222639)
Why CATO?
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