Phosphonic acid supplier | CasNO.13598-36-2

Name
Phosphorous acid
EINECS 237-066-7
CAS No. 13598-36-2
Article Data407
CAS DataBase
Density 1.651 g/mL at 25 °C(lit.)
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
Hazard Symbols C
Synonyms Orthophosphorous acid;Dihydroxyphosphine oxide;Trihydroxyphosphine;Phosphonic acid;
PSA 81.00000
LogP -0.63930

Synthetic route

: phosphorus

A: 13598-36-2
phosphonic Acid

B: 86119-84-8, 7664-38-2
phosphoric acid

Conditions

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

: 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

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

...Expand

: 7732-18-5
water

: 6303-21-5
hypophosphorous acid

: 13598-36-2
phosphonic Acid

Conditions

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

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

Conditions	Yield
With mineral acids In water boiling mineral acidic soln.;;	A 76% B 12% C 12%
With mineral acids In water

...Expand

: 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

Conditions	Yield
With phosphorus trichloride at 25℃; for 1h;	A 1% B 73% C 26%

...Expand

: 696-62-8
para-iodoanisole

: 12775-96-1, 15158-11-9, 15721-63-8, 16941-75-6, 17493-86-6, 19498-52-3, 20499-83-6, 20499-84-7, 20499-85-8, 20499-86-9, 20573-10-8, 20573-11-9, 21595-51-7, 21595-52-8, 22206-52-6, 26445-28-3, 28959-95-7, 37362-93-9, 39417-05-5, 54603-16-6, 54603-23-5, 54603-32-6, 54603-40-6, 54603-48-4, 54603-81-5, 54603-89-3, 56316-56-4, 95985-91-4, 122297-32-9, 7440-50-8
copper

: 13598-36-2
phosphonic Acid

Conditions

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

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

D: 6303-21-5
hypophosphorous acid

Conditions

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%

...Expand

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

: 7732-18-5
water

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

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%

...Expand

: 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

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%

...Expand

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

: 7732-18-5
water

A: 13598-36-2
phosphonic Acid

B: 86119-84-8, 7664-38-2
phosphoric acid

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

Conditions

Conditions	Yield
In methanol byproducts: H2; under N2, Schlenk techniques; to Ru compd. in MeOH excess of water added, stirred (12 h, room temp.);	A 31% B 31% C 24%

...Expand

: [(CpRu(PPh3)2)2(μ,η(1:1)-P4)](CF3SO3)2

: 7732-18-5
water

A: 13598-36-2
phosphonic Acid

B: [(CpRu(PPh3)2)2(μ,η(1:1)-P2H4](2+)

C: [(CpRu(PPh3))(CpRu(PPh3)2)(μ(1,4:3),η(2:1)-P(OH)2PHPHPH(OH))](CF3SO3)2

Conditions

Conditions	Yield
In tetrahydrofuran under Ar atm. water was added to Ru complex and THF and stirred for 6 days at room temp.; solvent was removed in vacuo, residue was dissolved in acetone, n-hexanewas added; elem. anal.;	A n/a B n/a C 4%

...Expand

: CH3O4PPol2

: self-ester of HMPA

A: 13598-36-2
phosphonic Acid

B: bis-phosphonomethylimine

C: 1066-51-9
Aminomethylphosphonic acid

D: 86119-84-8, 7664-38-2
phosphoric acid

Conditions

Conditions	Yield
Stage #1: CH3O4PPol2; self-ester of HMPA With urea at 185℃; for 15h; Stage #2: With sodium hydroxide In water for 10h; Heating / reflux;	A 0.9 %Chromat. B 4.1 %Chromat. C 93 %Chromat. D 3.6 %Chromat.

...Expand

: CH3O4PPol2

: self-ester of HMPA

: 6000-44-8
sodium glycinate

A: 13598-36-2
phosphonic Acid

B: 1066-51-9
Aminomethylphosphonic acid

C: 86119-84-8, 7664-38-2
phosphoric acid

D: 1071-83-6
N-(phosphonemethyl)glycine

Conditions

Conditions	Yield
Stage #1: CH3O4PPol2; self-ester of HMPA; sodium glycinate In acetonitrile for 0.166667h; Stage #2: at 180℃; for 16h; Stage #3: With hydrogen bromide In water at 110℃; for 6h;	A 1.5 %Chromat. B 1.1 %Chromat. C 2.3 %Chromat. D 16.7 %Chromat.

...Expand

: CH3O4PPol2

: self-ester of HMPA

: 6000-44-8
sodium glycinate

A: 13598-36-2
phosphonic Acid

B: 1066-51-9
Aminomethylphosphonic acid

C: 2439-99-8
<<(carboxymethyl)imino>dimethylene>bisphosphonic acid

D: 86119-84-8, 7664-38-2
phosphoric acid

E: 1071-83-6
N-(phosphonemethyl)glycine

Conditions

Conditions	Yield
Stage #1: CH3O4PPol2; self-ester of HMPA; sodium glycinate In sulfolane at 180℃; for 16h; Stage #2: With hydrogen bromide In sulfolane; water at 110℃; for 6h;	A 0.7 %Chromat. B 1.2 %Chromat. C 1.7 %Chromat. D 2.2 %Chromat. E 15.1 %Chromat.

...Expand

: 125674-89-7
Dimethyl 3-(2-thienyl)-2-isoxazolin-5-ylphosphonate

A: 13598-36-2
phosphonic Acid

B: 125674-90-0
3-(2-Thienyl)-2-isoxazolin-5-ylphosphonic acid

: 13598-36-2
phosphonic Acid

: 86119-84-8, 7664-38-2
phosphoric acid

Conditions

Conditions	Yield
With nitric acid In water after 45 min at water bath temp. with 55 weight-% HNO3; autocatalytic, under formation of nitrogen oxides;;	100%
With HNO3 In water after 45 min at water bath temp. with 55 weight-% HNO3; autocatalytic, under formation of nitrogen oxides;;	100%
With water; iodine; sodium hydrogencarbonate In water byproducts: HI; oxidation of H3PO3 with I2 in NaHCO3 at 20°C is complet after 3 min;;	99.2%

: 7647-01-0
hydrogenchloride

: 13598-36-2
phosphonic Acid

: W3(PdCl)S4(H2O)9(3+)

: 7732-18-5
water

: 80262-44-8
cucurbituril

: [W3(PdP(OH)3)S4(H2O)8Cl](cucurbit[6]uril)Cl3*12.5H2O

Conditions

Conditions	Yield
In hydrogenchloride (N2); addn. of ligand to a soln. of tungsten cluster in 2 M HCl, addn. of a soln. of cucurbituril in 4 M HCl; elem. anal.;	99%

...Expand

: 13598-36-2
phosphonic Acid

: uranyl(VI) nitrate

: 108-13-4
malonodiamide

: UO2(2+)*HPO3(2-)*H2NCOCH2CONH2=[(UO2)(HPO3)(H2NCOCH2CONH2)]

Conditions

Conditions	Yield
In water pptn. from stoich. mixt. of U-salt, phosphorous acid and amide solns. (c(DAMA) 0.1 M); X-ray diffraction; elem. anal.;	99%

...Expand

: 13598-36-2
phosphonic Acid

: ammonium fluoride

: 103778-74-1
fluorophosphonate ammonium salt

Conditions

Conditions	Yield
With urea In not given byproducts: NH3, CO2; react. at 160°C;	98%

: potassium fluoride

: 13598-36-2
phosphonic Acid

: 103778-73-0
potassium fluorophosphite

Conditions

Conditions	Yield
With urea In not given byproducts: NH3, CO2; react. at 160°C;	98%

: gallium(III) oxide

: 13598-36-2
phosphonic Acid

: 16898-52-5
1,3-di(piperidin-4-yl)propane

: 67-48-1
choline chloride

: 6153-56-6
oxalic acid dihydrate

: (choline)0.9(4,4'-trimethylenedipiperidinium))0.05[Ga2(HPO3)2(oxalate)(OH)(H2O)]*0.5H2O

Conditions

Conditions	Yield
In water High Pressure; mixt. of diamine, Ga2O3, H3PO3 and choline chloride/oxalic acid (1/1) inH2O was heated in autoclave at 160°C for 1 d;	97%

...Expand

: 75-77-4
chloro-trimethyl-silane

: 13598-36-2
phosphonic Acid

: 3663-52-3
bis(trimethylsilyl) phosphonate

Conditions

Conditions	Yield
In formamide for 1h; Inert atmosphere; Schlenk technique;	97%

: 13598-36-2
phosphonic Acid

: 102-82-9
tributyl-amine

: tributylammonium dihydrogen phosphite

Conditions

Conditions	Yield
In water for 2h; Cooling with ice;	97%

: 13598-36-2
phosphonic Acid

: calcium oxide

A: calcium metaphosphate

B: catena-tetracalcium hexaphosphate

Conditions

Conditions	Yield
In neat (no solvent) byproducts: H2O, P; under Ar; mixt. of CaO and H3PO3 (molar ratio = 1.1:2.55) in alumina boat heated to 770 K (180 K/h) in N2 flow, re-grinding after 24 h, heated to 1170 K (180 K/h), kept at 1170 K for 48 h, cooled to room temp. (60 K/h);	A n/a B 96%

...Expand

: 13598-36-2
phosphonic Acid

: 17252-51-6
1,3-di(4-pyridyl)propane

: 7732-18-5
water

: 5970-45-6
zinc(II) acetate dihydrate

: (4,4'-trimethylenedipyridine)Zn2(HPO3)2(H2O)

Conditions

Conditions	Yield
With NaOH; alanine or phenylglycine or serine In water keeping a mixt. of zinc salt, ligand, NaOH, amino acid and H3PO3 in water at room temp. for 1 wk in a vac. sealed tube; filtration; elem. anal.;	96%

...Expand

: 13598-36-2
phosphonic Acid

: 24331-65-5
bis(difluorophosphino) sulphide

A: 13812-07-2
μ-oxo-bis(difluorophosphane)

B: 88438-43-1
tris(difluorophosphino) phosphite

Conditions

Conditions	Yield
In neat (no solvent) byproducts: PF2HS; excess S(PF2)2 was condensed into ampoule containing PHO(OH)2, mixt. was warmed to room temp. for 4 h; volatile products were sepd. by fractional condensation in vac., product was abtained as the fraction valatile at 250 K but retained at 209 K;	A n/a B 95%

...Expand

: 1313-13-9
manganese(IV) oxide

: 13598-36-2
phosphonic Acid

: borax

: 7732-18-5
water

: Na(1+)*Mn(3+)*B(3+)*P2O7(4-)*3OH(1-)=NaMn[BP2O7(OH)3]

Conditions

Conditions	Yield
In water High Pressure; MnO2 (5 mmol), B compd. (10 mmol), and H3PO3 (45 mmol) in H2O, mixt. sealed, heated at 200°C for 4 d; washed hot water (80°C), elem. anal.;	95%

...Expand

: 13598-36-2
phosphonic Acid

: 32993-05-8
chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium (II)

: 2923-28-6
silver trifluoromethanesulfonate

: [RuCp(PPh3)2{P(OH)3}]CF3SO3

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane; water byproducts: AgCl; (Ar); aq. soln. of H3PO3 (1 equiv.) was added with stirring to suspn. ofRu complex and Ag salt in THF/CH2Cl2 at room temp.; suspn. was stirred at room temp. for 3 h; filtered; filtrate evapd. (vac.); recrystd. (acetone/hexane); elem. anal.;	94%

...Expand

: 13598-36-2
phosphonic Acid

: 17252-51-6
1,3-di(4-pyridyl)propane

: 7732-18-5
water

: 5970-45-6
zinc(II) acetate dihydrate

: (4,4'-trimethylenedipyridine)Zn2(HPO3)2*2.5H2O

Conditions

Conditions	Yield
In water keeping a mixt. of zinc salt, ligand and H3PO3 in water at room temp. for 2 wk in a vac. sealed tube; filtration; elem. anal.;	90%

...Expand

: 110-86-1
pyridine

: 13598-36-2
phosphonic Acid

: indium sulfate

: 144-62-7
oxalic acid

: 2In(3+)*2HPO3(2-)*C2O4(2-)*2NC5H5=(In2(HPO3)2(C2O4)(NC5H5)2)

Conditions

Conditions	Yield
With HF In water High Pressure; mixt. In2(SO4)3, H3PO3, oxalic acid, pyridine, HF and water (1.O:3.6:2.6:32.0:10.4:95, pH 6.5) was heated in PTFE-lined stainless steel acid digestion bomb at 180°C for 72 h; ppt. was filtered and washed with water;	90%

...Expand

: 13598-36-2
phosphonic Acid

: 7732-18-5
water

: vanadia

: 144-62-7
oxalic acid

: 1310-65-2
lithium hydroxide

: 2OV(2+)*2HO3P(2-)*C2O4(2-)*6H2O*2Li(1+)

Conditions

Conditions	Yield
at 120℃; for 48h; Autoclave; High pressure;	90%

...Expand

: 13598-36-2
phosphonic Acid

: chromium(III) nitrate nonahydrate

: hydrogen tris(monohydrogen phosphito) chromate(III)

Conditions

Conditions	Yield
With ammonium hydroxide; H2O In water Cr(NO3)3*9H2O dissolved in H2O, Cr(OH)3 pptd. with NH4OH at pH 8, soln.of freshly pptd. Cr(OH)3 added to boliling soln. of H3PO3 in H2O, mixture refluxed gently for 2 h; cooling to room temp., evapn. at room temp. to dryness, maceration withEtOH, stirring with EtOH for 4 h at room temp., filtration, washing with EtOH, air drying; elem. anal.;	89%

: 13598-36-2
phosphonic Acid

: 7732-18-5
water

: cobalt(II) fuoride

: 42032-51-9
1,2-bis(imidazole-1-ylmethyl)benzene

: [Co(HPO3)(1,2-bis(imidazol-1-ylmethyl)benzene)(H2O)2]*2H2O

Conditions

Conditions	Yield
With NaOH In water stirred for 5 min; crystd. for 2 d at room temp.; elem. anal.;	89%

...Expand

: 110-85-0
piperazine

: 50-00-0
formaldehyd

: 13598-36-2
phosphonic Acid

: 89280-71-7
N,N’-piperazine bis(methylenephosphonic acid)

Conditions

Conditions	Yield
Stage #1: piperazine; phosphonic Acid With hydrogenchloride In water for 1h; Reflux; Stage #2: formaldehyd In water for 26h; Reflux;	89%

...Expand

: 13598-36-2
phosphonic Acid

: 17252-51-6
1,3-di(4-pyridyl)propane

: 5970-45-6
zinc(II) acetate dihydrate

: 108-46-3
recorcinol

: [4,4'-trimethylene dipyridine][resorcinol][Zn2(HPO3)2]

Conditions

Conditions	Yield
In water mixt. of Zn. compd. (1 mmol), phosphorous acid (2 mmol), 4,4'-trimethylene dipyridine (1.5 mmol), resorcinol (2 mmol), and H2O sealed under vac.in glaas tube, stored at room temp. for 1 week; crystals isolated; elem. anal.;	88.1%

...Expand

: 140-31-8
aminoethylpiperazine

: 13598-36-2
phosphonic Acid

: beryllium(II) sulphate tetrahydrate

: H2(1-(2-aminoethyl)piperazine)*Be3(HPO3)4*2H2O

Conditions

Conditions	Yield
In ethanol; water High Pressure; BeSO4, H3PO3, 1-(2-aminoethyl)piperazine, water and EtOH sealed in autoclave, heated (160°C, 7 d); filtered, washed (H2O), dried (air); XRD, elem. anal.;	87.7%

...Expand

: 366-18-7
[2,2]bipyridinyl

: 13598-36-2
phosphonic Acid

: 5970-45-6
zinc(II) acetate dihydrate

: [Zn4(HPO3)4(2,2'-bipyridine)4]2*5.53H2O

Conditions

Conditions	Yield
With 1-methylimidazole or imidazole or cyclohexylamine In water mixt. of compds. and reagent mixed in distd. water, stirred for 1 min then allowed to stand for 5 d at room temp.; elem. anal.;	87%

...Expand

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.

Product Name

Phosphorous acid

Synthetic route

Phosphonic acid Specification

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