6-(Bromomethyl)-1,3-benzothiazole CAS 499770-85-3
| CAS No. | 499770-85-3 |
| Molecular Formula | C8H6BrNS |
| Molecular Weight | 228.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 228.11 g/mol gives 6-(Bromomethyl)-1,3-benzothiazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
6-(Bromomethyl)-1,3-benzothiazole (CAS 499770-85-3), molecular formula C8H6BrNS and molecular weight 228.11 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 6-(Bromomethyl)-1,3-benzothiazole (C8H6BrNS) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 228.11 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), 6-(Bromomethyl)-1,3-benzothiazole 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 | C8H6BrNS |
| Molecular Weight | 228.11 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Bromomethyl Standards
- 2-(Bromomethyl)-1,3-benzothiazole (CAS 106086-78-6)
- 1-(Bromomethyl)-2-isothiocyanatobenzene (CAS 108288-40-0)
- 5-(Bromomethyl)benzo[d]thiazole (CAS 131337-65-0)
- 1-(Bromomethyl)-3-isothiocyanatobenzene (CAS 155863-31-3)
- 3-(bromomethyl)-1-methanesulfonylazetidine (CAS 1850205-92-3)
- 3-(bromomethyl)-1,2-benzothiazole (CAS 59057-83-9)
- 4-(Bromomethyl)benzo[d]thiazole (CAS 936827-73-5)
- 5-(Bromomethyl)thieno[2,3-b]pyridine (CAS 2091064-20-7)
Recommended Standards
- 5-Bromoindoline-2-thione (CAS 848649-91-2)
- 6-Bromo-1,3-dihydro-indole-2-thione (CAS 848649-94-5)
- 5-Bromobenzo[b]thiophen-3-amine (CAS 45859-82-3)
- 6-Bromo-2-methylbenzothiazole, 97% (CAS 5304-21-2)
- 4,6-Dimethoxy-1H-indole-2-carbohydrazide (CAS 474398-80-6)
- n-(1,2,3,4-Tetrahydroquinoline-1-carbonothioyl)benzamide (CAS 25561-81-3)
- 4-[(dimethylamino)methyl]-n'-hydroxybenzene-1-carboximidamide (CAS 500024-79-3)
- (E)-N-(2,4-difluorophenyl)-3-(furan-2-yl)acrylamide (CAS 471286-52-9)
- Bis- MPA-diallylÂether (CAS 174822-36-7)
- 2-[(2,4-dichlorobenzyl)oxy]-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-methyloxime (CAS 338419-50-4)
- 2-Chloro-6-(cyanomethyl)-5-(difluoromethyl)nicotinonitrile (CAS 1804465-03-9)
- 2-amino-N-[4-(2H-1,2,3-triazol-2-yl)phenyl]propanamide hydrochloride (CAS 1251922-84-5)
- 3-(4-Bromophenyl)-5-isopropyl-1,2,4-oxadiazole (CAS 917562-24-4)
- D-Glu3-Tirzepatide (CAS CATO-CPTD788927)
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