Pinacolyl methylphosphonate - CAS 616-52-4
Catalog: |
BB031213 |
Product Name: |
Pinacolyl methylphosphonate |
CAS: |
616-52-4 |
Synonyms: |
3,3-dimethylbutan-2-yloxy(methyl)phosphinic acid |
IUPAC Name: | 3,3-dimethylbutan-2-yloxy(methyl)phosphinic acid |
Description: | PMPA, also referred to Pinacolyl methylphosphonate, is a degradation product of a chemical warfare agent used as a biomarker of exposure to classic organophosphorus (OP) nerve agents VX, sarin, RVX, and soman. |
Molecular Weight: | 180.18 |
Molecular Formula: | C7H17O3P |
Canonical SMILES: | CC(C(C)(C)C)OP(=O)(C)O |
InChI: | InChI=1S/C7H17O3P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3,(H,8,9) |
InChI Key: | BLALDUPQYCGKAG-UHFFFAOYSA-N |
Boiling Point: | 96-106 °C / 8 mmHg (lit.) |
Purity: | 98 % |
Density: | 1.032 g/mL at 25°C(lit.) |
MDL: | MFCD00192402 |
LogP: | 2.25280 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-102220627-B1 | Composition for decomposing nerve agents and method for decomposing nerve agents using same | 20200608 |
WO-2021113296-A1 | Integration of metal-organic frameworks on textile fibers and fabrics for the destruction of nerve agents under ambient humidity conditions | 20191203 |
WO-2021011740-A1 | LIGAND-DIRECTED RETICULAR SYNTHESIS OF METAL-ORGANIC FRAMEWORKS HAVING EDGE-TRANSITIVE alb NETWORK TOPOLOGIES | 20190717 |
WO-2020076765-A1 | Mass spectrometry via frequency tagging | 20181010 |
WO-2019236312-A1 | Two-dimensional mass spectrometry using ion micropacket detection | 20180604 |
PMID | Publication Date | Title | Journal |
22850437 | 20120731 | NAAG peptidase inhibitors block cognitive deficit induced by MK-801 and motor activation induced by d-amphetamine in animal models of schizophrenia | Translational psychiatry |
22673812 | 20120720 | Zirconia coated stir bar sorptive extraction combined with large volume sample stacking capillary electrophoresis-indirect ultraviolet detection for the determination of chemical warfare agent degradation products in water samples | Journal of chromatography. A |
22641530 | 20120601 | Molecularly imprinted polymer sensors for detection in the gas, liquid, and vapor phase | Journal of molecular recognition : JMR |
22096781 | 20120121 | Direct hapten-linked competitive inhibition enzyme-linked immunosorbent assay (CIELISA) for the detection of O-pinacolyl methylphosphonic acid | The Analyst |
22864420 | 20120101 | Oxidative degradation of chemical warfare agents in water by bleaching powder | Water science and technology : a journal of the International Association on Water Pollution Research |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0915314 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0915314 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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