7-(3,4-Dichlorophenoxy)heptanoic acid CAS 87411-44-7
| CAS No. | 87411-44-7 |
| Molecular Formula | C13H16Cl2O3 |
| Molecular Weight | 291.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 7-(3,4-Dichlorophenoxy)heptanoic acid is closely related to 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.
7-(3,4-Dichlorophenoxy)heptanoic acid (CAS 87411-44-7), molecular formula C13H16Cl2O3 and molecular weight 291.17 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C13H16Cl2O3, 7-(3,4-Dichlorophenoxy)heptanoic acid contains a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 291.17 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C13H16Cl2O3 |
| Molecular Weight | 291.17 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1981 |
| Halogen Content | Cl-containing |
Related Dichlorophenoxy Standards
- Ethyl 5-(2,5-dichlorophenoxy)pentanoate (CAS 1443323-12-3)
- Ethyl 5-(3,5-dichlorophenoxy)pentanoate (CAS 1443323-17-8)
- Ethyl 5-(3,4-dichlorophenoxy)pentanoate (CAS 1443337-61-8)
- Ethyl 5-(2,3-dichlorophenoxy)pentanoate (CAS 1443337-92-5)
- Ethyl 5-(2,6-dichlorophenoxy)pentanoate (CAS 1443345-15-0)
- Ethyl 5-(2,4-dichlorophenoxy)pentanoate (CAS 91820-58-5)
- Methyl 2-(3,5-dichlorophenoxy)-4-methylpentanoate (CAS 2044706-76-3)
- 5-(3,5-Dichlorophenoxy)furan-2-carbonyl chloride (CAS 175277-07-3)
Recommended Standards
- 4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone (CAS 79836-44-5)
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- 2,2-Bis(4-chlorophenyl)cyclopropanecarbaldehyde (CAS 65498-79-5)
- N-(4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)cyclopropanamine (CAS 2096338-43-9)
- 2-Oxo-2,4-dihydro-1H-3,1-benzoxazine-6-carboxylic acid (CAS 1511528-39-4)
- 2-(4-Butylphenyl)butan-2-ol (CAS 152300-86-2)
- (R)-1-Methoxy-1-oxopropan-2-yl benzoate (CAS 84657-11-4)
- Methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate (CAS 19813-43-5)
- Methyl 2-bromo-3,4-dimethoxybenzoate (CAS 132185-19-4)
- 7,7-dibromodispiro[2.0.2⁴.1³]heptane (CAS 50874-21-0)
- (4-Bromophenyl)(4-chlorophenyl)methanone (CAS 27428-57-5)
- 5-(4-(Dimethylamino)phenyl)-4,4-dimethyl-4,5-dihydroisoxazol-5-ol (CAS 61184-65-4)
- 1-(2,4,5-Trimethylfuran-3-yl)ethanone (CAS 205262-91-5)
- Protein Kinase C? Peptide Substrate (CAS 120253-69-2)
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