Ethyl (2Z)-3-Amino-4,4,4-Trichloro-2-Cyanobut-2-Enoate CAS 49765-05-1

Purity 97%+In StockPharmaceutical Standards
CAS No.49765-05-1
Molecular FormulaC7H7Cl3N2O2
Molecular Weight257.50 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl (2Z)-3-Amino-4,4,4-Trichloro-2-Cyanobut-2-Enoate CAS 49765-05-1 chemical structure

Description

The occurrence of Ethyl (2Z)-3-Amino-4,4,4-Trichloro-2-Cyanobut-2-Enoate is closely related to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Ethyl (2Z)-3-Amino-4,4,4-Trichloro-2-Cyanobut-2-Enoate (CAS 49765-05-1), molecular formula C7H7Cl3N2O2 and molecular weight 257.50 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Ethyl (2Z)-3-Amino-4,4,4-Trichloro-2-Cyanobut-2-Enoate (C7H7Cl3N2O2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 257.50 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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), Ethyl (2Z)-3-Amino-4,4,4-Trichloro-2-Cyanobut-2-Enoate 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 FormulaC7H7Cl3N2O2
Molecular Weight257.50 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1971
Halogen ContentCl-containing
Nitrogen Atoms2

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