4-bromo-1-chloro-2-isocyanatobenzene CAS 923693-67-8
| CAS No. | 923693-67-8 |
| Molecular Formula | C7H9BrClNO |
| Molecular Weight | 238.51 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-bromo-1-chloro-2-isocyanatobenzene is closely related to an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-bromo-1-chloro-2-isocyanatobenzene (CAS 923693-67-8), molecular formula C7H9BrClNO and molecular weight 238.51 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-bromo-1-chloro-2-isocyanatobenzene (C7H9BrClNO) contains an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 238.51 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.
As a certified reference material (CRM), 4-bromo-1-chloro-2-isocyanatobenzene 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 | C7H9BrClNO |
| Molecular Weight | 238.51 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 1 |
Related bromo Standards
- 3-Bromo-5-chloro-2-(methylsulfanyl)pyridine (CAS 1289214-24-9)
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- 3-Bromo-2-chloro-6-(methylthio)pyridine (CAS 1809158-14-2)
- 4-Bromo-2-chloro-3-(methylsulfanyl)pyridine (CAS 2386938-99-2)
- 5-Bromo-3-chloro-4-methylthiopyridine (CAS 261625-68-7)
- 4-Bromo-2-chloro-5-fluorobenzenemethanamine (CAS 1338432-69-1)
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Recommended Standards
- N1-(3,5-Dichlorophenyl)-2-chloroacetamide (CAS 33560-48-4)
- 2,5,6-Trichlorobenzo[d]thiazole (CAS 120258-61-9)
- N-(2,6-dichlorophenyl)-N-chloroacetylamine (CAS 99310-46-0)
- 1,2,3-Trichloro-4-isothiocyanatobenzene (CAS 127142-69-2)
- (Z)-N'-hydroxy-2-(piperidin-1-yl)benzimidamide (CAS 860784-50-5)
- 1-Phenyl-1h-pyrazol-3-amine hydrochloride (CAS 127107-30-6)
- 2-(5-Methyl-2-(3-(trifluoromethyl)phenyl)thiazol-4-yl)acetic acid (CAS 924868-87-1)
- 25658-80-4 5-Chloroindoline 5-chloro-2,3-dihydro-(1h)-indole 5-chloro-2,3-dihydro-1h-indole (CAS 25658-80-4)
- 3-Hydroxy-2,3-dimethylbutan-2-yl hydrogen (5-chloropiperazin-2-yl)boronate (CAS 2223006-72-0)
- N-(thiazol-2-yl)ethanesulfonamide (CAS 1197-27-9)
- 2-Chloro-4-methyl-5-(methylsulfonyl)pyridine (CAS 1935176-01-4)
- 7-Bromoindole-3-carboxylic Acid (CAS 86153-25-5)
- 2-(4-Bromophenyl)-3,8-dimethylquinoline-4-carboxylic acid (CAS 522594-92-9)
- Semaglutide impurity 64 (CAS CATO-C4X-222664)
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