1-Bromo-3-isobutylthiobenzene CAS 1199773-06-2
| CAS No. | 1199773-06-2 |
| Molecular Formula | C10H13BrS |
| Molecular Weight | 245.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-Bromo-3-isobutylthiobenzene is closely related to sulfur-containing functionality, bromine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-Bromo-3-isobutylthiobenzene (CAS 1199773-06-2), molecular formula C10H13BrS and molecular weight 245.18 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-Bromo-3-isobutylthiobenzene (C10H13BrS) contains sulfur-containing functionality, bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 245.18 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.
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 | C10H13BrS |
| Molecular Weight | 245.18 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 1 |
Related Bromo Standards
- 1-Bromo-4-butylthiobenzene (CAS 121392-35-6)
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- 2-Bromo-4-tert-butylbenzenethiol (CAS 14395-55-2)
- (3-Bromo-5-isopropylphenyl)(methyl)sulfane (CAS 1807646-38-3)
- 1-Bromo-4-(tert-butylsulfanyl)benzene (CAS 25752-90-3)
- 2-Bromo-3-cyclohexylthiophene (CAS 241477-71-4)
- 12-Bromo-1-dodecyne (CAS 138055-44-4)
- 4-bromo-1,5-dimethyl-naphthalene (CAS 15095-54-2)
Recommended Standards
- 1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-amine (CAS 1188909-71-8)
- 4-(4-Fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-5-amine (CAS 1046046-44-9)
- (2-Bromobenzyl)(propyl)sulfane (CAS 1248980-51-9)
- 3-Amino-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazole (CAS 1040724-42-2)
- Methyl 2-((tert-butoxycarbonyl)amino)-3-(piperidin-1-yl)propanoate hydrochloride (CAS 1290967-89-3)
- 5-(4-((2,4-Dichlorobenzyl)oxy)phenyl)-3-(4-methylbenzyl)-1,3,4-oxadiazol-2(3H)-one (CAS 866152-90-1)
- 3-Hydroxy-n-(5-methyl-1,3-thiazol-2-yl)benzamide (CAS 1019453-02-1)
- 2-Cyclopentyl-N-(4-(((4-fluorobenzyl)thio)methyl)thiazol-2-yl)acetamide (CAS 941885-11-6)
- Thieno[3,2-b]pyridine-2-carbaldehyde (CAS 94191-18-1)
- (2-Bromoethane-1,1,2-triyl)tribenzene (CAS 18495-77-7)
- 1-(2,4-Dichlorophenyl)propane-1-sulfonamide (CAS 1249809-66-2)
- Crisaborole impurity 118 (CAS CATO-C4X-2021118)
- 1-(Bromomethyl)-1-(2-ethoxyethoxy)-4-methylcyclohexane (CAS 1247997-66-5)
- Tirzepatide Impurity 52 (CAS CATO-C4X-324052)
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