2-BROMO-5-CYANOTOLUENE 3-METHYL-4-BROMOBENZONITRILE 4-BROMO-3-METHYLBENZENECARBONITRILE 4-BROMO-3-METHYLBENZONITRILE 41963-20-6 BC002613 CAS 41963-20-6

Purity 97%+In StockPharmaceutical Standards
CAS No.41963-20-6
Molecular FormulaC8H12BrN
Molecular Weight202.09 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-BROMO-5-CYANOTOLUENE 3-METHYL-4-BROMOBENZONITRILE 4-BROMO-3-METHYLBENZENECARBONITRILE 4-BROMO-3-METHYLBENZONITRILE 41963-20-6 BC002613 CAS 41963-20-6 chemical structure

Description

2-BROMO-5-CYANOTOLUENE 3-METHYL-4-BROMOBENZONITRILE 4-BROMO-3-METHYLBENZENECARBONITRILE 4-BROMO-3-METHYLBENZONITRILE 41963-20-6 BC002613 (CAS 41963-20-6), molecular formula C8H12BrN and molecular weight 202.09 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C8H12BrN, 2-BROMO-5-CYANOTOLUENE 3-METHYL-4-BROMOBENZONITRILE 4-BROMO-3-METHYLBENZENECARBONITRILE 4-BROMO-3-METHYLBENZONITRILE 41963-20-6 BC002613 contains a nitrile group, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 202.09 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 FormulaC8H12BrN
Molecular Weight202.09 g/mol
AppearanceWhite to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1968
Halogen ContentBr-containing
Nitrogen Atoms1

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