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| Name |
Propyl-2-propynylphenylphosphonate |
EINECS | N/A |
| CAS No. | 18705-22-1 | Density | 1.12g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H15O3P | Boiling Point | 317°Cat760mmHg |
| Molecular Weight | 238.24 | Flash Point | 159.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion and skin contact. When heated to decomposition it emits toxic fumes of POx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Propyl-2-propynylphenylphosphonate Chemical Properties
Molecule structure of Propyl-2-propynylphenylphosphonate (CAS NO.18705-22-1):
.gif)
IUPAC Name: [Propoxy(prop-2-ynoxy)phosphoryl]benzene
Molecular Weight: 238.219461 g/mol
Molecular Formula: C12H15O3P
Density: 1.12 g/cm3
Boiling Point: 317 °C at 760 mmHg
Flash Point: 159.4 °C
Index of Refraction: 1.501
Molar Refractivity: 62.56 cm3
Molar Volume: 212 cm3
Polarizability: 24.8×10-24 cm3
Surface Tension: 40.6 dyne/cm
Enthalpy of Vaporization: 53.62 kJ/mol
Vapour Pressure: 0.000734 mmHg at 25 °C
XLogP3-AA: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 6
Exact Mass: 238.075881
MonoIsotopic Mass: 238.075881
Topological Polar Surface Area: 35.5
Heavy Atom Count: 16
Complexity: 286
Canonical SMILES: CCCOP(=O)(C1=CC=CC=C1)OCC#C
InChI: InChI=1S/C12H15O3P/c1-3-10-14-16(13,15-11-4-2)12-8-6-5-7-9-12/h1,5-9H,4,10-11H2,2H3
InChIKey of Propyl-2-propynylphenylphosphonate (CAS NO.18705-22-1): YSVDXOJUVQMPCX-UHFFFAOYSA-N
Propyl-2-propynylphenylphosphonate Toxicity Data With Reference
| 1. | orl-rat LD50:362 mg/kg | 28ZEAL Pesticide Index. 4 (1969),332. | ||
| 2. | skn-rbt LD50:2650 µg/kg | 28ZEAL Pesticide Index. 4 (1969),332. | ||
| 3. | orl-ckn LD50:341 mg/kg | JTEHD6 Journal of Toxicology and Environmental Health. 10 (1982),907. |
Propyl-2-propynylphenylphosphonate Safety Profile
Poison by ingestion and skin contact. When heated to decomposition it emits toxic fumes of POx.
Propyl-2-propynylphenylphosphonate Specification
Propyl-2-propynylphenylphosphonate (CAS NO.18705-22-1) is also named as AI3-28923 ; BRN 2848621 ; FMC-16388 ; NIA 16,388 ; O-n-Propyl O-(2-propynyl) phenylphosphonate ; Phosphonic acid, phenyl-, propyl (2-propynyl) ester .
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