3-Bromo-4-iodotoluene CAS 71838-16-9
| CAS No. | 71838-16-9 |
| Molecular Formula | C7H6BrI |
| Molecular Weight | 296.93 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Bromo-4-iodotoluene is closely related to bromine/iodine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Bromo-4-iodotoluene (CAS 71838-16-9), molecular formula C7H6BrI and molecular weight 296.93 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Bromo-4-iodotoluene (C7H6BrI) contains bromine/iodine 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 296.93 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), 3-Bromo-4-iodotoluene 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 | C7H6BrI |
| Molecular Weight | 296.93 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| 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.) | 1977 |
| Halogen Content | Br/I-containing |
Related Bromo Standards
- 3-Bromo-5-iodotoluene (CAS 116632-38-3)
- 5-Bromo-2-iodotoluene (CAS 116632-39-4)
- 1-Bromo-3-(iodomethyl)benzene (CAS 255909-02-5)
- 1-Bromo-4-(iodomethyl)benzene (CAS 55883-45-9)
- 1-Bromo-4-iodo-2-methylbenzene (CAS 202865-85-8)
- 2-Bromo-4-iodotoluene (CAS 26670-89-3)
- 2-Bromo-6-iodotoluene (CAS 97456-81-0)
- 3-Bromo-2-iodotoluene (CAS 869500-07-2)
Recommended Standards
- 4-Bromo-2-iodo-1-methylbenzene (CAS 260558-15-4)
- 2-Iodobenzyl Bromide (CAS 40400-13-3)
- 3-Iodobenzyl Bromide (CAS 49617-83-6)
- (4-(Benzyloxy)-3,5-dichlorophenyl)boronic acid (CAS 1003298-85-8)
- 5-Bromo-2-(diethoxymethyl)pyridine (CAS 1044209-33-7)
- (2R,2'R,3R,3'R)-MeO-BIBOP (CAS 1228758-57-3)
- Methyl 2-(4-benzenesulfonamidophenoxy)benzoate (CAS 866020-30-6)
- 2-(2-Chloro-6-(difluoromethyl)-5-iodopyridin-3-yl)acetic acid (CAS 1805266-20-9)
- 1-(4-Fluorophenyl)-1H-indazole (CAS 81329-42-2)
- 5-((5-Nitrofuran-2-yl)methylene)-2-thioxothiazolidin-4-one (CAS 13410-84-9)
- 4-(Propane-1-sulfonyl)piperidine (CAS 1004619-99-1)
- (4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazine (CAS 252253-57-9)
- (3aR,4R,5R,6aS)-5-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-4-[(1E,3S)-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-octen-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one (CAS 61628-05-5)
- Semaglutide impurity 50 (CAS 2773558-66-8)
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