3-Bromo-4-(sec-butylamino)benzonitrile CAS 1157575-33-1

Purity 97%+In StockPharmaceutical Standards
CAS No.1157575-33-1
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Bromo-4-(sec-butylamino)benzonitrile CAS 1157575-33-1 chemical structure

Description

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.

3-Bromo-4-(sec-butylamino)benzonitrile (CAS 1157575-33-1) is a high-purity analytical reference standard with the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol.

Structurally, 3-Bromo-4-(sec-butylamino)benzonitrile (C11H13BrN2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, 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 253.14 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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.

Physical & Chemical Properties

Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentBr-containing
Nitrogen Atoms2

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