tert-Butyl 3-Bromobenzoate CAS 69038-74-0
| CAS No. | 69038-74-0 |
| Molecular Formula | C11H13BrO2 |
| Molecular Weight | 257.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 257.12 g/mol gives tert-Butyl 3-Bromobenzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
tert-Butyl 3-Bromobenzoate (CAS 69038-74-0), molecular formula C11H13BrO2 and molecular weight 257.12 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, tert-Butyl 3-Bromobenzoate (C11H13BrO2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 257.12 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures tert-Butyl 3-Bromobenzoate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C11H13BrO2 |
| Molecular Weight | 257.12 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1976 |
| Halogen Content | Br-containing |
Recommended Standards
- tert-Butyl 2-bromobenzoate (CAS 55666-42-7)
- tert-Butyl 4-Bromobenzoate (CAS 59247-47-1)
- Methyl 5-(2-Bromoethyl)-2-methylbenzoate (CAS 272130-88-8)
- 5-Bromo-2-butoxybenzaldehyde 515148-88-6 C11H13BrO2 V6334 (CAS 515148-88-6)
- 2-(5-Cyclopropyl-3-(trifluoromethyl)-1h-pyrazol-1-yl)acetohydrazide (CAS 1001518-93-9)
- 2-((4-Methylbenzyl)thio)-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile (CAS 860649-61-2)
- Methyl 1-(3-fluorophenoxy)cyclopropanecarboxylate (CAS 1924165-75-2)
- Ethyl 2-[(cyclohexylcarbonyl)amino]benzoate (CAS 315712-30-2)
- N-(4-Butylphenyl)-2-[(4-{[4-({[(4-butylphenyl)carbamoyl]methyl}sulfanyl)phenyl]sulfanyl}phenyl)sulfanyl]acetamide (CAS 882749-69-1)
- 7-Bromo-2,3-dihydrobenzofuran-3-ol (CAS 1404230-46-1)
- 2-(4-Methoxyphenyl)-4,5-dimethyloxazole 3-oxide (CAS 35392-11-1)
- (S)-5-((1-(4,4-Difluoro-3-(3-fluoro-1H-pyrazol-1-yl)butanoyl)-4-hydroxypiperidin-4-yl)methyl)-1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one (CAS 1959551-26-8)
- Dichloromethane (CAS 75-09-2)
- Cholecystokinin Octapeptide (1-5) (desulfated) (CAS 121880-96-4)
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