1-Hydroxyethane-1,1-diphosphonic Acid supplier

Name
1-Hydroxyethylidene-1,1-diphosphonic acid
EINECS 220-552-8
CAS No. 2809-21-4
Article Data40
CAS DataBase
Density 2.114 g/cm³
Solubility Soluble in water.
Melting Point 198~199 °C
Formula C₂H₈O₇P₂
Boiling Point 578.8 °C at 760 mmHg
Molecular Weight 206.029
Flash Point 303.8 °C
Transport Information UN 3265
Appearance light beige powder
Safety 26-39
Risk Codes 37/38-41
Molecular Structure
Hazard Symbols Xi
Synonyms (1-Hydroxyethylidene)bisphosphonic acid;(1-Hydroxyethylidene)diphoshonic acid;(Hydroxyethylidene)diphosphonic acid;1,1,1-Ethanetriol diphosphonate;1-Hydroxyethane-1,1-bisphosphonic acid;1-Hydroxyethane-1,1-diphosphonate;1-Hydroxyethanediphosphonic acid;1-Hydroxyethylidene-1,1-bisphosphonate;1000SL;Acetodiphosphonic acid;Acide etidronique [INN-French];Acidum etidronicum [INN-Latin];BRN 1789291;Dequest 2010;Dequest Z 010;EHDP;Ethane-1-hydroxy-1,1-diphosphonic acid;Etidronate;Ferrofos 510;Hydroxyethane-1,1-diphosphonic acid;Oxyethylidenediphosphonic acid;Phosphonic acid, (1-hydroxyethylidene)di-;RP 61;Turpinal SL;UNII-M2F465ROXU;Phosphonic acid, P,P'-(1-hydroxyethylidene)bis-;1-Hydroxy Ethylidene-1,1-Diphosphonic Acid (HEDP);HT-101 HEDP;
PSA 154.91000
LogP -0.99220

Synthetic route

: 15207-88-2
(1-hydroxyethylidene)bisphosphonic acid tetramethyl ester

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

Conditions

Conditions	Yield
With hydrogenchloride	100%

: 75-36-5
acetyl chloride

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

Conditions

Conditions	Yield
Stage #1: acetyl chloride With tris(trimethylsilyl) phosphite at 25℃; Stage #2: In methanol at 25℃; for 1h;	98%
With phosphonic Acid at 120℃;
Stage #1: acetyl chloride With tris(trimethylsilyl) phosphite Cooling with liquid nitrogen; Stage #2: With methanol for 4h;

: 64-19-7
acetic acid

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

Conditions

Conditions	Yield
With (1-acetyloxyethylidene)-1,1-bisphosphonic acid In water at 75 - 110℃; for 5h;	97%
With phosphonic Acid; phosphorus trichloride In chlorobenzene at 100℃; for 3h; Inert atmosphere;	87%
With P4O6 heating, other monocarboxylic acids;

: 12440-00-5
phosphorus(III) oxide

: 64-19-7
acetic acid

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

Conditions

Conditions	Yield
With water at 150℃; under 15001.5 Torr; Concentration; Temperature; Pressure;	97%

: C17H48O7P2Si5

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

Conditions

Conditions	Yield
With methanol for 1h;	90%

: 140-39-6
1-acetoxy-4-methylbenzene

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

Conditions

Conditions	Yield
With hydrogenchloride; P4O6; boron trifluoride 1.) 20 deg C to 25 deg C, 20 h, 2.) 10 h;	68%

: 628-63-7
1-pentyl acetate

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

Conditions

Conditions	Yield
With phosphonic Acid; phosphorus trichloride In sulfolane; water 1.) 40 deg C to 60 deg C, 1 h 30 min, 2.) 108 deg C to 113 deg C, 6 h;	39%

: 60-35-5
acetamide

: 1655-07-8
ethyl 2-oxocyclohexane carboxylate

A: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

B: 102402-46-0
2-amino-2-phosphonocyclohexanecarboxylic acid

C: 124589-58-8
ammonium 1-aminoethane-1,1-diphosphonate

D: 67398-11-2
α-amino cyclohexylphosphonic acid

Conditions

Conditions	Yield
Stage #1: acetamide With acetyl chloride In acetic acid for 0.25h; Cooling with ice; Stage #2: ethyl 2-oxocyclohexane carboxylate In acetic acid at 20℃; Cooling with ice; Further stages;	A 4 %Spectr. B 30% C 21 %Spectr. D 18%

...Expand

: 628-63-7
1-pentyl acetate

A: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

B: 104392-46-3
(Pentyloxy-phosphono-methyl)-phosphonic acid

Conditions

Conditions	Yield
With hydrogenchloride; P4O6; boron trifluoride 1.) 50 deg C, 4 h, 2.) 6 h;	A 22% B 13%

: 60-35-5
acetamide

: 10472-24-9
methyl 2-oxocyclopentane-1-carboxylate

A: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

B: 124589-58-8
ammonium 1-aminoethane-1,1-diphosphonate

C: 67550-64-5
α-amino cyclopentylphosphonic acid

D: 81746-49-8
2-Amino-2-phosphono-cyclopentanecarboxylic acid

Conditions

Conditions	Yield
Stage #1: acetamide With acetyl chloride In acetic acid for 0.25h; Cooling with ice; Stage #2: methyl 2-oxocyclopentane-1-carboxylate With phosphorus trichloride In acetic acid at 20℃; Cooling with ice; Further stages;	A 4% B 20% C 3 %Spectr. D 64 %Spectr.

...Expand

: 20427-93-4
(1-Hydroxyethylidene)-1,1-bisphosphonic acid tetraethyl ester

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

Conditions

Conditions	Yield
Stage #1: (1-Hydroxyethylidene)-1,1-bisphosphonic acid tetraethyl ester With trimethylsilyl bromide at 0℃; for 1h; Stage #2: With methanol at 0℃;

: 1392687-52-3
tetrakis(O-trimethylsilyl)hydroxyethylidenediphosphonic acid

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

Conditions

Conditions	Yield
With ethanol for 0.5h;

: 50-00-0
formaldehyd

: 64-19-7
acetic acid

A: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

B: 2617-47-2
hydroxymethylphosphonic acid

Conditions

Conditions	Yield
Stage #1: formaldehyd; acetic acid at 115℃; for 2h; Stage #2: With phosphorus trichloride at 20℃; for 6h; Reflux; Stage #3: With water for 2.5h; Reflux;

...Expand

: C2H4Cl4O3P2

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

Conditions

Conditions	Yield
With water for 2.5h; Reflux;

: 7316-54-3
(1-acetoxyethane-1,1-diyl)bis(phosphonic acid)

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

Conditions

Conditions	Yield
With ethanol at 20 - 125℃; for 1h; Temperature;

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: 362-75-4
2',3'-isopropylidene adenosine

: 2',3'-O-isopropylidenadenosine salt of (1-hydroxyethane-1,1-diyl)bis(phosphonic) acid

Conditions

Conditions	Yield
In water	99%

: ruthenium trichloride hydrate

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: 110-60-1
1,4-diaminobutane

: [NH3(CH2)4NH3][Ru2(1-hydroxyethylidenephosphonateH0.5)2]*2H2O

Conditions

Conditions	Yield
In water hydrothermal treatment of a mixt. of RuCl3*xH2O, diphosphonic-compound and H2O, adjusted by NH2(CH2)4NH2 to pH - 2.85 at 140°C for 6 days; elem. anal.;	98%

...Expand

: 102-71-6
triethanolamine

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: cobalt(II) nitrate

: Co(2+)*HN(C2H4OH)3(1+)*5H(1+)*2CH3C(OH)(PO3)2(4-)*7H2O = [HN(C2H4OH)3][Co(H2O)2H5(CH3C(OH)(PO3)2)2]*5H2O

Conditions

Conditions	Yield
With glacial acetic acid In water several d; decantation, washing (aq. HOAc), filtration, drying in air at room temp.; elem. anal.;	98%
In water slow evapn., filtration, drying in air at room temp.; elem. anal.;	93%

...Expand

: 102-71-6
triethanolamine

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: nickel(II) nitrate

: Ni(2+)*HN(C2H4OH)3(1+)*5H(1+)*2CH3C(OH)(PO3)2(4-)*7H2O = [HN(C2H4OH)3][Ni(H2O)2H5(CH3C(OH)(PO3)2)2]*5H2O

Conditions

Conditions	Yield
In water slow evapn., filtration, drying in air at room temp.; elem. anal.;	97%
With glacial acetic acid In water several d; decantation, washing (aq. HOAc), filtration, drying in air at room temp.; elem. anal.;	97%

...Expand

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: 134868-25-0
C52H76N4O8

: C52H76N4O8*4C2H8O7P2

Conditions

Conditions	Yield
In water for 12h;	97%

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: C68H108N4O8

: C68H108N4O8*4C2H8O7P2

Conditions

Conditions	Yield
In water for 12h;	97%

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: barium dihydrogen 1-hydroxyethane-1,1-diphosphonate dihydrate

Conditions

Conditions	Yield
With barium(II) chloride In potassium hydroxide for 120h;	96%

: 10196-18-6
zinc(II) nitrate

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: Zn2(PO3)2C(OH)CH3*5H2O

Conditions

Conditions	Yield
With sodium hydroxide In water components mixing (molar ratio Zn:org. acid=1:2), aq. NaOH addn. (molar ratio NaOH:org. acid=3.5-4.5), mixt. stirring continuously for 14 d, pptn.; ppt. thoroughly pressing free from mother liquor, washing (alcohol), drying at room temp.; elem. anal.; thermogravimetric anal.;	96%

: terbium(III) chloride hexahydrate

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: 2666-14-0, 3794-83-0, 7414-83-7, 13529-88-9, 13710-39-9, 17721-68-5, 29329-71-3, 32573-98-1
ethane-1-hydroxy-1,1-diphosphonic acid tetrasodium salt

: [Tb(etidronic acid(-3H))(H2O)]*3H2O

Conditions

Conditions	Yield
With GeO2 In water High Pressure; stirred at ambient temp., heated at 150°C; washed (H2O), filtered, air-dried at room temp.; elem. anal.;	96%

...Expand

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: 683207-66-1
C56H84N4O8

: C56H84N4O8*4C2H8O7P2

Conditions

Conditions	Yield
In water for 12h;	96%

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: 134887-74-4
4,6,10,12,16,18,22,24-octahydroxy-5,11,17,19-tetrakis(dimethylaminomethyl)-2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene

: C44H60N4O8*4C2H8O7P2

Conditions

Conditions	Yield
In water for 12h;	96%

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: calcium hydroxide

: (dimethylammonium)2[Ca(1-hydroxyethylidene-1,1-diphosphonic acid-2H)2]

Conditions

Conditions	Yield
In ethanol; water at 160℃; for 72h; pH=3.01; High pressure;	93.7%

...Expand

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

polyhexamethyleneguanidinium hydrochloride: polyhexamethyleneguanidinium hydrochloride

polyhexamethyleneguanidinium 1-hydroxyethylidenediphosphonate, product from metacide and xydiphone (feed ratio 1:5.0): polyhexamethyleneguanidinium 1-hydroxyethylidenediphosphonate, product from metacide and xydiphone (feed ratio 1:5.0)

Conditions

Conditions	Yield
In various solvent(s)	92%

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: erbium(III) chloride hexahydrate

: 7732-18-5
water

: [Er8(H2O)4(etidronic acid(-4H))6]n

Conditions

Conditions	Yield
at 150 - 230℃; for 72h; pH=1-2;	92%

...Expand

: yttrium(III) chloride hexahydrate

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: 2666-14-0, 3794-83-0, 7414-83-7, 13529-88-9, 13710-39-9, 17721-68-5, 29329-71-3, 32573-98-1
ethane-1-hydroxy-1,1-diphosphonic acid tetrasodium salt

: [Y(etidronic acid(-3H))(H2O)]*3H2O

Conditions

Conditions	Yield
With GeO2 In water High Pressure; stirred for 0.5 h at ambient temp., heated at 150°C for 3 d; washed (H2O), filtered, air-dried at room temp.; elem. anal.;	91%

...Expand

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

polyhexamethyleneguanidinium hydrochloride: polyhexamethyleneguanidinium hydrochloride

polyhexamethyleneguanidinium 1-hydroxyethylidenediphosphonate, product from metacide and xydiphone (feed ratio 1:4.0): polyhexamethyleneguanidinium 1-hydroxyethylidenediphosphonate, product from metacide and xydiphone (feed ratio 1:4.0)

Conditions

Conditions	Yield
In various solvent(s)	89%

: cobalt(II) chloride hexahydrate

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: 110-60-1
1,4-diaminobutane

: [NH3(CH2)4NH3]Co2(hedpH)2*2H2O

Conditions

Conditions	Yield
In water High Pressure; mixt. CoCl2*6H2O, 50% hedpH4, and H2O adjusted with 1,4-butylenediamine to pH 4.83 was treated hydrothermally at 140°C for 45 h; elem. anal.;	89%

...Expand

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: 57-13-6
urea

: C2H8O7P2*2CH4N2O

Conditions

Conditions	Yield
In water at 90℃; for 2h;	89%

: 124-09-4
1,6-Hexanediamine

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: 124-46-9, 20734-13-8, 100224-74-6, 593-85-1
guanidine hydrogen carbonate

: C141H305N63*21C2H8O7P2

Conditions

Conditions	Yield
Stage #1: 1,6-Hexanediamine; guanidine hydrogen carbonate In 1,3,5-trimethyl-benzene at 165℃; for 8h; Stage #2: 1-hydroxyethylene-(1,1-diphosphonic acid)	88%

...Expand

: ytterbium(III) chloride hexahydrate

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: 2666-14-0, 3794-83-0, 7414-83-7, 13529-88-9, 13710-39-9, 17721-68-5, 29329-71-3, 32573-98-1
ethane-1-hydroxy-1,1-diphosphonic acid tetrasodium salt

: [Yb(etidronic acid(-3H))]*H2O

Conditions

Conditions	Yield
In water High Pressure; stirred at ambient temp. for 0.5 h, heated at 150°C for 3 d; washed (H2O), filtered, air-dried at room temp.; elem. anal.;	88%

...Expand

: 106-92-3
Allyl glycidyl ether

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: C8H14O9P2(4-)*4Na(1+)

Conditions

Conditions	Yield
With sodium hydroxide In water at 80 - 95℃;	88%

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: ammonium molybdate tetrahydrate

: 7664-41-7
ammonia

: hexaammonium bis(1-oxyethylidenediphosphonate)dioxomolybdenum tetrahydrate

Conditions

Conditions	Yield
In water at 20℃; for 48h; pH=8 - 9;	88%

...Expand

: manganese(II) chloride tetrahydrate

: 462-94-2
1,5-diaminopentane

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: [NH3(CH2)5NH3][Mn2(hedpH)2]*2H2O

Conditions

Conditions	Yield
With NaF In water mixt. MnCl2*4H2O, hedpH4, NaF, and water was adjusted to pH 4 with 1,5-diaminopentane and kept in autoclave at 110°C for 2 d; react. mixt. was cooled to room temp.; elem. anal.;	87%

...Expand

: 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)

: 999-97-3
1,1,1,3,3,3-hexamethyl-disilazane

: 1392687-52-3
tetrakis(O-trimethylsilyl)hydroxyethylidenediphosphonic acid

Conditions

Conditions	Yield
at 25 - 140℃;	87%

1-Hydroxyethane-1,1-diphosphonic Acid Chemical Properties

Molecular structure of 1-Hydroxyethane-1,1-diphosphonic Acid (CAS NO.2809-21-4) is:

Product Name: 1-Hydroxyethane-1,1-diphosphonic Acid
CAS Registry Number: 2809-21-4
IUPAC Name: (1-hydroxy-1-phosphonoethyl)phosphonic acid
Molecular Weight: 206.028242 [g/mol]
Molecular Formula: C₂H₈O₇P₂
XLogP3-AA: -3.7
H-Bond Donor: 5
H-Bond Acceptor: 7
EINECS: 220-552-8
Melting Point: 198~199 °C
Stability: Stable. Incompatible with strong oxidizing agents.
Surface Tension: 139.2 dyne/cm
Density: 2.114 g/cm³
Flash Point: 303.8 °C
Enthalpy of Vaporization: 99.45 kJ/mol
Boiling Point: 578.8 °C at 760 mmHg
Vapour Pressure: 8.34E-16 mmHg at 25°C
Product Categories: Industrial/Fine Chemicals;Inorganic & Organic Chemicals;Analytical Chemistry;Ligands for Pharmaceutical Research;Radiopharmaceutical Chemistry (Chelating Reagents);Phosphonate antiscalant

1-Hydroxyethane-1,1-diphosphonic Acid Uses

1-Hydroxyethane-1,1-diphosphonic Acid (CAS NO.2809-21-4) is a bisphosphonate used in detergents, water treatment, cosmetics and pharmaceutical treatment. It is a chelating agent and may be added to bind or, to some extent, counter the effects of substances, such as calcium, iron or other metal ions, which may be discharged as a component of grey wastewater and could conceivably contaminate groundwater supplies. As a phosphonate it has corrosion inhibiting properties on unnalloyed steel. It also acts to retard rancidification and oxidation of fatty acids.

1-Hydroxyethane-1,1-diphosphonic Acid Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1800mg/kg (1800mg/kg)		Angewandte Chemie, International Edition in English. Vol. 14, Pg. 94, 1975.

1-Hydroxyethane-1,1-diphosphonic Acid Consensus Reports

Reported in EPA TSCA Inventory.

1-Hydroxyethane-1,1-diphosphonic Acid Safety Profile

Moderately toxic by ingestion. When heated above 200° it decomposes violently to produce toxic fumes of phosphine, phosphoric acid, and PO_x.
Hazard Codes: Irritant Xi
Risk Statements: 37/38-41
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
Safety Statements: 26-39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39:Wear eye / face protection.
RIDADR: UN 3265
WGK Germany: 2
RTECS: SZ8562100
F: 10
HazardClass: 8
PackingGroup: II

1-Hydroxyethane-1,1-diphosphonic Acid Specification

1-Hydroxyethane-1,1-diphosphonic Acid , its cas register number is 2809-21-4. It also can be called (1-Hydroxyethylidene)bisphosphonic acid ; 1-Hydroxy-1,1-diphosphonoethane ; 1-Hydroxyethane-1,1-diphosphonic Acid [USAN:INN:BAN] ; Phosphonic acid, (1-hydroxyethylidene)bis- ; (1-Hydroxyethylene)diphosphonic acid ; (1-Hydroxyethylidene)bis(phosphonic acid) .It is a light beige powder.

Product Name

1-Hydroxyethylidene-1,1-diphosphonic acid

Synthetic route

1-Hydroxyethane-1,1-diphosphonic Acid Chemical Properties

1-Hydroxyethane-1,1-diphosphonic Acid Uses

1-Hydroxyethane-1,1-diphosphonic Acid Toxicity Data With Reference

1-Hydroxyethane-1,1-diphosphonic Acid Consensus Reports

1-Hydroxyethane-1,1-diphosphonic Acid Safety Profile

1-Hydroxyethane-1,1-diphosphonic Acid Specification

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