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Cas Database |
| Name |
1-Hydroxyethane-1,1-diphosphonic Acid |
EINECS | 220-552-8 |
| CAS No. | 2809-21-4 | Density | 2.114 g/cm3 |
| PSA | 154.91000 | LogP | -0.99220 |
| 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; |
Article Data | 40 |
1-Hydroxyethane-1,1-diphosphonic Acid Synthetic route
- 15207-88-2
(1-hydroxyethylidene)bisphosphonic acid tetramethyl ester
- 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)
| Conditions | Yield |
|---|---|
| With hydrogenchloride | 100% |
| 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; |
| 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; |
| Conditions | Yield |
|---|---|
| With water at 150℃; under 15001.5 Torr; Concentration; Temperature; Pressure; | 97% |
- 2809-21-4
1-hydroxyethylene-(1,1-diphosphonic acid)
| Conditions | Yield |
|---|---|
| With methanol for 1h; | 90% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; P4O6; boron trifluoride 1.) 20 deg C to 25 deg C, 20 h, 2.) 10 h; | 68% |
| 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 | 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% |
- 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 | 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 | 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. |
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 POx.
Hazard Codes: 
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.
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