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Phosphonic acid

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Name

Phosphonic acid

EINECS 237-066-7
CAS No. 13598-36-2 Density 1.651 g/mL at 25 °C(lit.)
PSA 81.00000 LogP -0.63930
Solubility soluble in water Melting Point 73 °C
Formula H3PO3 Boiling Point 200 °C
Molecular Weight 81.9958 Flash Point 200°C
Transport Information UN 2834 8/PG 3 Appearance white crystalline solid
Safety 26-36/37/39-45 Risk Codes 22-35
Molecular Structure Molecular Structure of 13598-36-2 (Phosphorous acid) Hazard Symbols CorrosiveC
Synonyms

Orthophosphorous acid;Dihydroxyphosphine oxide;Trihydroxyphosphine;Phosphonic acid;

Article Data 407

Phosphonic acid Synthetic route

phosphorus

A

13598-36-2

phosphonic Acid

B

86119-84-8, 7664-38-2

phosphoric acid

Conditions
ConditionsYield
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

phosphorus

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
ConditionsYield
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
6303-21-5

hypophosphorous acid

13598-36-2

phosphonic Acid

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With phosphorus trichloride at 25℃; for 1h;A 1%
B 73%
C 26%
1232174-52-5

(η5-cyclopentadienyl)bis(triphenylphosphane)(η1-tetraphosphrus)osmium(II) triflate

A

13598-36-2

phosphonic Acid

B

1232174-60-5

(η5-cyclopentadienyl)bis(triphenylphosphane)(phosphine)osmium(II) triflate

C

(η5-cyclopentadienyl)bis(triphenylphosphane)(phosphorous acid)osmium(II) triflate

D

6303-21-5

hypophosphorous acid

Conditions
ConditionsYield
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%

[CpRu(sodium m-monosulfonated triphenylphosphine)2(η1-P4)]PF6

A

13598-36-2

phosphonic Acid

B

86119-84-8, 7664-38-2

phosphoric acid

C

[CpRu(sodium m-monosulfonated triphenylphosphine)2(PH(OH)2)]PF6

D

[CpRu(sodium m-monosulfonated triphenylphosphine)2(PH3)]PF6

E

[CpRu(sodium m-monosulfonated triphenylphosphine)2(P(OH)3)]PF6

Conditions
ConditionsYield
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%

phosphorous

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
ConditionsYield
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%

Phosphonic acid 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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