5-(((4-Bromophenyl)thio)methyl)-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole CAS 478031-75-3
| CAS No. | 478031-75-3 |
| Molecular Formula | C14H10BrF3N2S2 |
| Molecular Weight | 407.27 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 5-(((4-Bromophenyl)thio)methyl)-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole.
5-(((4-Bromophenyl)thio)methyl)-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole (CAS 478031-75-3) is a high-purity analytical reference standard with the molecular formula C14H10BrF3N2S2 and a molecular weight of 407.27 g/mol.
Structurally, 5-(((4-Bromophenyl)thio)methyl)-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole (C14H10BrF3N2S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 407.27 g/mol, it falls into the moderately-high-molecular-weight range. 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.
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 | C14H10BrF3N2S2 |
| Molecular Weight | 407.27 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Bromophenyl Standards
- (Z)-3-((4-Bromophenyl)(4-(methylsulfonyl)phenyl)methylene)dihydrofuran-2(3H)-one (CAS 197438-73-6)
- 4-((4-Bromophenyl)sulfonyl)-N-methyl-2-(o-tolyl)oxazol-5-amine (CAS 478171-37-8)
- N-(2-Bromophenyl)-2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 618413-46-0)
- N-(3-Bromophenyl)-2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 573709-48-5)
- N-(4-Bromophenyl)-2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 618412-90-1)
- 2-(4-Bromophenyl)-7-(methylsulfonyl)benzo[d]imidazo[2,1-b]thiazole (CAS 866135-76-4)
- N-(4-Bromophenyl)-2-((4-(piperidin-1-yl)pyrimidin-2-yl)thio)acetamide (CAS 1251707-34-2)
- 1,1-Bis-(4-Bromophenyl)-2,2-dichloroethylene (CAS 21655-73-2)
Recommended Standards
- 4-(4-Iodobenzenesulfonyl)-1-oxa-4-azaspiro[4.5]decane (CAS 861209-87-2)
- 5-Bromo-3-nitro-4-(4-(1-(pyridin-4-yl)ethyl)piperazin-1-yl)pyridin-2-amine (CAS 942949-00-0)
- 2-[(1Z)-1-Cyano-2-phenyleth-1-en-1-yl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CAS 338786-53-1)
- ethyl 1-(iodomethyl)-3-thiazol-4-yl-2-oxabicyclo[2.2.2]octane-4-carboxylate (CAS 2703779-92-2)
- 1-(2-Fluorophenyl)propan-1-amine hydrochloride (CAS 1955554-65-0)
- 4-Mercapto-2,3-dihydro-1H-inden-1-one (CAS 1273663-71-0)
- n-(1-(2-Chloro-4-fluorophenyl)ethyl)propan-1-amine (CAS 1158045-52-3)
- 1219980-54-7 1707AD 4-Piperidinyl 2-methylpropanoate hydrochloride C9H18ClNO2 (CAS 1219980-54-7)
- 1-Cyclopentylpiperidin-4-ol (CAS 832735-53-2)
- 1-(Bromomethyl)-1-(pentyloxy)cyclopentane (CAS 1247586-26-0)
- (R)-2-(3-bromophenyl)pyrrolidine hydrochloride (CAS 1391550-13-2)
- 2-[(3-Methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylene]malononitrile (CAS 398131-33-4)
- Benzo[d][1,2,3]diazaborinin-1(2H)-ol (CAS 17091-90-6)
- Acetyl Tetrapeptide- 15 (CAS 928007-64-1)
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