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| CAS No.: | 13598-36-2 |
|---|---|
| Name: | Phosphorous acid |
| Article Data: | 407 |
| Molecular Structure: | |
|
|
|
| Formula: | H3PO3 |
| Molecular Weight: | 81.9958 |
| Synonyms: | Orthophosphorous acid;Dihydroxyphosphine oxide;Trihydroxyphosphine;Phosphonic acid; |
| EINECS: | 237-066-7 |
| Density: | 1.651 g/mL at 25 °C(lit.) |
| Melting Point: | 73 °C |
| Boiling Point: | 200 °C |
| Flash Point: | 200°C |
| Solubility: | soluble in water |
| Appearance: | white crystalline solid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 22-35 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2834 8/PG 3 |
| PSA: | 81.00000 |
| LogP: | -0.63930 |
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| Conditions | Yield |
|---|---|
| With water; copper 760°C, catalyst on Cu-Zr-pyrophosphate carrier; product contains 1 % P as H3PO3; | A n/a B 95% |
- 7647-01-0
hydrogenchloride
- 7722-84-1
dihydrogen peroxide
- 688-73-3
tri-n-butyl-tin hydride
A
- 13598-36-2
phosphonic Acid
B
- 1461-22-9
tributyltin chloride
C
- 6303-21-5
hypophosphorous acid
| Conditions | Yield |
|---|---|
| Stage #1: phosphorus; tri-n-butyl-tin hydride In toluene at 20℃; for 16h; Irradiation; Schlenk technique; Stage #2: dihydrogen peroxide In water; toluene at 20℃; for 0.5h; Cooling with liquid nitrogen; Stage #3: hydrogenchloride In 1,4-dioxane; hexane; water; acetonitrile for 1h; | A n/a B 93% C n/a |
| Conditions | Yield |
|---|---|
| With Ni-doped silica for 18h; Reflux; | 84% |
| With hypobromous acid In water Kinetics; oxidn. at varying concentrations of HOBr at varying temp. and H(1+) concn.; not isolated; monitoring iodometrically; | |
| With bromine In water Kinetics; byproducts: HBr; oxidn. at varying concentrations of Br2 and different concn. of bromide at varying temp. and H(1+) concn.; mechanism discussed; not isolated; monitoring iodometrically; | |
| With tetra-N-butylammonium tribromide In water Kinetics; byproducts: tetrabutylammonium bromide, HBr; oxidation of phosphinic acid by tetrabutylammonium tribromide; |
- 6303-21-5
hypophosphorous acid
- 13598-36-2
phosphonic Acid
| Conditions | Yield |
|---|---|
| With nickel on silica In water for 18h; Reflux; | 84% |
| In neat (no solvent) oxidation of the anhydrous acid on standing on air for a longer period of time;; | |
| With Bi(5+); bismuth(III) In perchloric acid; hydrogen fluoride Kinetics; byproducts: Bi(3+); 4 h at 35°C; mechanism discussed;; |
- 66314-64-5
H6P6O12
A
- 13598-36-2
phosphonic Acid
B
- 86119-84-8, 7664-38-2
phosphoric acid
C
- 6303-21-5
hypophosphorous acid
| Conditions | Yield |
|---|---|
| With mineral acids In water boiling mineral acidic soln.;; | A 76% B 12% C 12% |
| With mineral acids In water |
- 67-56-1
methanol
A
- 13598-36-2
phosphonic Acid
B
- 868-85-9
Dimethyl phosphite
C
- 13590-71-1
phosphonic acid monomethyl ester
| Conditions | Yield |
|---|---|
| With phosphorus trichloride at 25℃; for 1h; | A 1% B 73% C 26% |
- 696-62-8
para-iodoanisole
- 13598-36-2
phosphonic Acid
| Conditions | Yield |
|---|---|
| With potassium carbonate; aniline In ethyl acetate; 1,2-dichloro-benzene | 70.1% |
- 1232174-52-5
(η5-cyclopentadienyl)bis(triphenylphosphane)(η1-tetraphosphrus)osmium(II) triflate
- 7732-18-5
water
A
- 13598-36-2
phosphonic Acid
B
- 1232174-60-5
(η5-cyclopentadienyl)bis(triphenylphosphane)(phosphine)osmium(II) triflate
D
- 6303-21-5
hypophosphorous acid
| Conditions | Yield |
|---|---|
| In tetrahydrofuran (Ar), Os complex treated with 100 equiv. of H2O in THF, stirred at room temp. for 1 d; evapd.(vac.); | A 55% B 55% C 22% D 20% |
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide Kinetics; under N2, Schlenk techniques; 25-35°C; | A 21% B 7.2% C 7% D 44% E 10.3% |
A
- 13598-36-2
phosphonic Acid
B
- 86119-84-8, 7664-38-2
phosphoric acid
C
- 6303-21-5
hypophosphorous acid
D
- 7803-60-3
hypophosphoric acid
| Conditions | Yield |
|---|---|
| With sodium chlorite In not given a soln. of sodium chlorite is converting 42% of the red P into H4P2O6;; | A 35% B 19% C 2% D 42% |
| With sodium chlorite In not given byproducts: H5P3O8; a soln. of sodium chlorite is converting 42% of the red P into H4P2O6;; | A 35% B 19% C 2% D 42% |
| With sodium chlorite In not given a soln. of sodium chlorite is converting 42% of the red P into H4P2O6;; | A 35% B 19% C 2% D 42% |
| With sodium chlorite In not given byproducts: H5P3O8; a soln. of sodium chlorite is converting 42% of the red P into H4P2O6;; | A 35% B 19% C 2% D 42% |
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Specification
This chemical is called Phosphonic acid, and it's also named as Phosphorous acid. With the molecular formula of H3O3P, its molecular weight is 82.00. The CAS registry number of this chemical is 13598-36-2. Additionally, its product categories are Inorganic Chemicals; Inorganics. Moreover, this chemical is used as a reducing agent, nylon whitening agent. It's also used as a sub-phosphate raw materials, pesticide intermediates.
Other characteristics of the Phosphonic acid can be summarised as followings: (1)ACD/LogP: -3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 81 Å2.
Production method of this chemical: The Phosphonic acid could be produced by the Hydrolysis of the phosphorus trichloride. Stirring slowly with dropping water, through the purification, cooling crystallization, decolorization, the product could be finished
PCI3 +3H2O → H3PO3 +3HCl
When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed and it causes severe burns. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: OP(=O)O
2.InChI: InChI=1/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)
3.InChIKey: ABLZXFCXXLZCGV-UHFFFAOYAF
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 1700mg/kg (1700mg/kg) | Toksikologicheskii Vestnik. Vol. (6), Pg. 38, 1995. | |
| rat | LD50 | oral | 1895mg/kg (1895mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 56(4), Pg. 24, 1991. |
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