3-chloro-2-hydroxypropyl dihydrogen phosphate CAS 56729-01-2
| CAS No. | 56729-01-2 |
| Molecular Formula | C13H4Cl4N2O7 |
| Molecular Weight | 441.99 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-chloro-2-hydroxypropyl dihydrogen phosphate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3-chloro-2-hydroxypropyl dihydrogen phosphate (CAS 56729-01-2), a certified reference material (molecular formula C13H4Cl4N2O7, MW 441.99 g/mol) for analytical method development and quality control.
Structurally, 3-chloro-2-hydroxypropyl dihydrogen phosphate (C13H4Cl4N2O7) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 441.99 g/mol, it falls into the moderately-high-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.
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 | C13H4Cl4N2O7 |
| Molecular Weight | 441.99 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1973 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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- 4-Chloro-N'-(1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl)benzenesulfonohydrazide (CAS 477709-82-3)
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Recommended Standards
- 4-[(4-Chlorophenyl)sulfanyl]-6-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrimidin-2-amine (CAS 339017-66-2)
- Bis(2,4-dichloro-5-nitrophenyl) carbonate (CAS 39489-75-3)
- 1H,1H,7H-Dodecafluoroheptyl iodide (CAS 376-32-9)
- Metoclopramide Impurity 34 (CAS CATO-C4X-141534)
- (S)-3-Amino-5-methyl-2-thioxoimidazolidin-4-one (CAS 262438-36-8)
- (3R,5S)-5-methylpiperidin-3-ol (CAS 1909294-38-7)
- Methyl 2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyrimidine-4-carboxylate (CAS 1365838-64-7)
- N-(azetidin-3-yl)-N-methylcyclobutanecarboxamide (CAS 1496790-15-8)
- Ethyl 5-amino-1-(4-methylphenyl)-1h-imidazole-4-carboxylate (CAS 306974-32-3)
- 1,4-Oxazepane (CAS 5638-60-8)
- 6-(2-(Aziridin-1-yl)ethoxy)-5-bromonicotinic acid (CAS 1216703-32-0)
- 2,2'-(Thiophen-2-ylmethylene)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one) (CAS 139484-14-3)
- 6-Isopropoxy-5-methylnicotinamide (CAS 1011476-69-9)
- Des-[Ser]8-Liraglutide (CAS CATO-C4X-199233)
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