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| CAS No.: | 124-64-1 |
|---|---|
| Name: | Tetrakis(hydroxymethyl)phosphonium chloride |
| Molecular Structure: | |
|
|
|
| Formula: | C4H12O4P.Cl |
| Molecular Weight: | 190.564 |
| Synonyms: | Phosphonium,tetrakis(hydroxymethyl)-, chloride (8CI,9CI);NSC 30698;Pyroset TKC;THPC;Tetrakis(hydroxymethyl)phosphochloride;Tetramethylolphosphonium chloride; |
| EINECS: | 204-707-7 |
| Density: | 1.341 g/mL at 25 °C |
| Melting Point: | 154 °C |
| Boiling Point: | 115°C/760mmHg |
| Flash Point: | > 96oC |
| Solubility: | water: >=10 g/100 mL at 20 °C |
| Appearance: | Clear light pink or yellow-green solution |
| Hazard Symbols: |
 T, N
|
| Risk Codes: | 21-25-38-41-42/43-51/53 |
| Safety: | 22-26-36/37/39-45-60-61 |
| Transport Information: | UN 2810 6.1/PG 3 |
| PSA: | 94.51000 |
| LogP: | -4.19280 |
| Conditions | Yield |
|---|---|
| Stage #1: formaldehyd With phosphorus; bis(tri-n-butyltin)oxide; 1,1'-azobis(1-cyanocyclohexanenitrile) In ethanol at 20℃; for 16h; Stage #2: With hydrogenchloride In 1,4-dioxane; ethanol at 20℃; for 4h; Catalytic behavior; Reagent/catalyst; Cooling with liquid nitrogen; | 80% |
| With hydrogenchloride; phosphorus hydrogen; water at 80℃; | |
| With hydrogenchloride; phosphan |
hydrogenchloride
formaldehyd
tri-n-butyl-tin hydride
A
tributyltin chloride
B
tetrakis(hydroxymethyl)phosphonium chloride
| Conditions | Yield |
|---|---|
| Stage #1: phosphorus; tri-n-butyl-tin hydride In toluene at 20℃; for 16h; Schlenk technique; Irradiation; Stage #2: formaldehyd In ethanol at 20℃; for 16h; Stage #3: hydrogenchloride In 1,4-dioxane; ethanol at 20℃; for 2h; Cooling with liquid nitrogen; | A 96% B 75% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water passing PH3 in aq. formaldehyde soln. containing HCl at ambient temp.;; | |
| With hydrogenchloride In water passing PH3 in aq. formaldehyde soln. containing HCl at 80 °C;; | |
| With HCl In water passing PH3 in aq. formaldehyde soln. containing HCl at 80 °C;; | |
| With HCl In water passing PH3 in aq. formaldehyde soln. containing HCl at ambient temp.;; |
| Conditions | Yield |
|---|---|
| With water |
formaldehyd
tris(hydroxymethyl)phosphine
tetrakis(hydroxymethyl)phosphonium chloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| Stage #1: tetrakis(hydroxymethyl)phosphonium chloride With potassium hydroxide In methanol; water at 15 - 20℃; for 0.166667h; Stage #2: With zinc(II) chloride; sodium sulfite In methanol; water at 25℃; Reagent/catalyst; Solvent; | 98.3% |
| With triethylamine at 60℃; for 4h; Elimination; | 95% |
| With sodium hydroxide |
| Conditions | Yield |
|---|---|
| In ethanol at 20℃; for 2h; | 95% |
| In ethanol for 2h; |
| Conditions | Yield |
|---|---|
| In ethanol at 20℃; for 2h; | 100% |
| Conditions | Yield |
|---|---|
| In ethanol at 20℃; for 2h; | 91% |
| Conditions | Yield |
|---|---|
| In ethanol at 20℃; for 2h; | 85% |
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| 1. | otr-mus:emb 5000 ppm | JTEHD6 Journal of Toxicology and Environmental Health. 6 (1980),259. | ||
| 2. | otr-ham:kdy 5000 ppm | JTEHD6 Journal of Toxicology and Environmental Health. 6 (1980),259. | ||
| 3. | cyt-ham:lng 87 mg/L | GMCRDC Gann Monograph on Cancer Research. 27 (1981),95. | ||
| 4. | msc-ham:lng 5000 ppm | JTEHD6 Journal of Toxicology and Environmental Health. 6 (1980),259. | ||
| 5. | orl-rat LD50:161 mg/kg | NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-296 ,1987. | ||
| 6. | ipr-mus LDLo:125 mg/kg | CBCCT* “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 7 (1955),789. |
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