Trans-2-(pyridin-4-yl)cyclopropanecarboxylic acid hcl CAS 4904-18-1
| CAS No. | 4904-18-1 |
| Molecular Formula | C20H20Cl2N5O3 |
| Molecular Weight | 449.31 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 Trans-2-(pyridin-4-yl)cyclopropanecarboxylic acid hcl.
Trans-2-(pyridin-4-yl)cyclopropanecarboxylic acid hcl (CAS 4904-18-1) is a high-purity analytical reference standard with the molecular formula C20H20Cl2N5O3 and a molecular weight of 449.31 g/mol.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, Trans-2-(pyridin-4-yl)cyclopropanecarboxylic acid hcl is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 449.31 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C20H20Cl2N5O3 |
| Molecular Weight | 449.31 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May 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) | 12.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
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Recommended Standards
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- (E)-N'-(2-bromobenzylidene)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-6-carbohydrazide (CAS 866137-86-2)
- 1-(3-Chloro-5-trifluoromethyl-pyridin-2-ylmethyl)-piperidine-4-carbothioic acid S-(4-chloro-phenyl) ester (CAS 1311279-18-1)
- Ethyl 3-amino-4-(3-methyl-1-piperidinyl)benzoate (CAS 1219960-70-9)
- Tacrolimus 15-DMT (CAS 151039-41-7)
- 6-(Hydroxymethyl)imidazo[1,2-a]pyridine (CAS 132213-07-1)
- 1-((4-Iodophenyl)sulfonyl)-4-phenylpiperazine (CAS 309272-60-4)
- 1-Cyclopropyl-1H-1,2,3-triazole (CAS 174773-05-8)
- Methyl 2-(4-chloropyrimidin-2-yl)acetate (CAS 66621-52-1)
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- Methyl 2-(2-((4-fluorophenoxy)methyl)morpholino)acetate (CAS 1706454-02-5)
- 2-Bromo-5-methylpyridin-3-ylboronic acid (CAS 2096338-41-7)
- Lixisenatide (CAS 320367-13-3)
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