(4-Bromobenzyl)(4-fluorophenyl)sulfane CAS 3801-47-6
| CAS No. | 3801-47-6 |
| Molecular Formula | C13H10BrFS |
| Molecular Weight | 297.19 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 (4-Bromobenzyl)(4-fluorophenyl)sulfane.
(4-Bromobenzyl)(4-fluorophenyl)sulfane (CAS 3801-47-6) is a high-purity analytical reference standard with the molecular formula C13H10BrFS and a molecular weight of 297.19 g/mol.
Structurally, (4-Bromobenzyl)(4-fluorophenyl)sulfane (C13H10BrFS) contains sulfur-containing functionality, fluorine/bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 297.19 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
As a certified reference material (CRM), (4-Bromobenzyl)(4-fluorophenyl)sulfane 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.
Physical & Chemical Properties
| Molecular Formula | C13H10BrFS |
| Molecular Weight | 297.19 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | F/Br-containing |
| Sulfur Atoms | 1 |
Related Bromobenzyl Standards
- (2-Bromobenzyl)(3-fluorophenyl)sulfane (CAS 1001161-71-2)
- (2-Bromobenzyl)(4-fluorophenyl)sulfane (CAS 1001161-72-3)
- (4-Bromobenzyl)(3-fluorophenyl)sulfane (CAS 1443303-50-1)
- (3-Bromobenzyl)(4-fluorophenyl)sulfane (CAS 1443304-45-7)
- (3-Bromobenzyl)(3-fluorophenyl)sulfane (CAS 1443351-82-3)
- n-(2-Bromobenzyl)-N-methylpyrrolidine-3-carboxamide (CAS 1582097-55-9)
- n-(2-Bromobenzyl)-N-methyl-1-(thiazol-4-yl)methanamine (CAS 1240882-06-7)
- 1-(3-Bromobenzyl)-4-isopropylpiperazine (CAS 423752-67-4)
Recommended Standards
- (4-Bromo-2-fluoro-[1,1'-biphenyl]-3-yl)(methyl)sulfane (CAS 2624417-44-1)
- 1-(2-Bromo-4-methylphenyl)-3-cyclopentylurea (CAS 446834-89-5)
- (3-Bromophenyl)(4-ethylpiperazin-1-yl)methanone (CAS 432535-15-4)
- 1-(4-bromo-2-methylbenzoyl)-4-methylpiperazine (CAS 924642-59-1)
- Rebamipide (CAS 90098-04-7)
- tert-Butyl 4-((methoxycarbonyl)methyl)benzoate (CAS 934737-91-4)
- tert-Butyl 2-(iodomethyl)-2-methylazetidine-1-carboxylate (CAS 1434142-24-1)
- 3-(2-methyl-1H-imidazol-1-yl)propan-1-amine hydrochloride (CAS 79319-22-5)
- 1-MEthoxy-2-nitro-3-(propan-2-yloxy)benzene (CAS 1369847-24-4)
- 4-Bromo-N-(4-(phenylethynyl)phenyl)benzenesulfonamide (CAS 439097-33-3)
- Ethyl (s)-2-(pyridin-3-yl)pyrrolidine-1-carboxylate (CAS 69730-90-1)
- 3-(Ethylsulfanyl)pyridine-4-carboxylic acid (CAS 1192021-94-5)
- 2-Amino-4-(4-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile (CAS 315246-03-8)
- Peptide Impurity 41 (CAS CATO-CPTD788841)
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