6-Amino-3-bromo-2-fluorobenzonitrile CAS 845866-92-4
| CAS No. | 845866-92-4 |
| Molecular Formula | C7H4BrFN2 |
| Molecular Weight | 215.02 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 6-Amino-3-bromo-2-fluorobenzonitrile.
6-Amino-3-bromo-2-fluorobenzonitrile (CAS 845866-92-4), molecular formula C7H4BrFN2 and molecular weight 215.02 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 6-Amino-3-bromo-2-fluorobenzonitrile (C7H4BrFN2) contains a nitrile group, fluorine/bromine substitution, an aromatic ring system. 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 215.02 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 | C7H4BrFN2 |
| Molecular Weight | 215.02 g/mol |
| Appearance | Off-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 DMSO, DMF, methanol |
| 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.) | 1987 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 2 |
Related Amino Standards
- 2-Amino-5-bromo-3-fluorobenzonitrile (CAS 1209498-46-3)
- 2-Amino-4-bromo-6-fluorobenzonitrile (CAS 1279865-14-3)
- 2-Amino-5-bromo-4-fluorobenzonitrile (CAS 1334331-01-9)
- 2-Amino-3-bromo-5-fluorobenzonitrile (CAS 1403667-47-9)
- 3-Amino-2-bromo-6-fluorobenzonitrile (CAS 1415633-90-7)
- 3-Amino-6-bromo-2-fluorobenzonitrile (CAS 1507928-98-4)
- 2-Amino-3-bromo-6-fluorobenzonitrile (CAS 1548414-97-6)
- 5-Amino-2-bromo-4-fluorobenzonitrile (CAS 1613386-27-8)
Recommended Standards
- 5-Bromo-7-fluorobenzofuran (CAS 286836-04-2)
- 6-Bromo-4-fluoro-1H-indazole (CAS 885520-23-0)
- 5-Bromo-3-fluoroimidazo[1,2-a]pyridine (CAS 2306263-73-8)
- 6-Bromo-5-fluorobenzofuran (CAS 286837-12-5)
- 2-Keto-D-xylose (CAS 19694-88-3)
- Ethyl 3-methyl-5-oxo-5-phenylpentanoate (CAS 73249-95-3)
- 4-(3-Fluorophenoxy)-2,2-dimethylbutan-1-amine (CAS 1267089-71-3)
- 4-Phenyl-1,7-dithia-4-azaspiro[4.4]Nonan-3-one 7,7-dioxide (CAS 880450-10-2)
- tert-butyl N-{4-[2-(trimethylsilyl)ethynyl]phenyl}carbamate (CAS 317842-68-5)
- Rimegepant Impurity 65 (CAS CATO-C4X-248765)
- (1S,3R)-3-(2-(4-chlorophenyl)-2-oxoethyl)cyclohexane-1-carboxylic acid (CAS 735275-17-9)
- 2,4-Diiodooxazole (CAS 1037597-73-1)
- 3-Methoxy-9a,11-dihydro-10H-dibenzo[a,d][7]annulen-10-one (CAS 22725-38-8)
- Galanin-Like Peptide (human) trifluoroacetate salt (CAS 245114-99-2)
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