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CAS No.: | 2809-21-4 |
---|---|
Name: | 1-Hydroxyethane-1,1-diphosphonic Acid |
Article Data: | 40 |
Cas Database | |
Molecular Structure: | |
Formula: | C2H8O7P2 |
Molecular Weight: | 206.029 |
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; |
EINECS: | 220-552-8 |
Density: | 2.114 g/cm3 |
Melting Point: | 198~199 °C |
Boiling Point: | 578.8 °C at 760 mmHg |
Flash Point: | 303.8 °C |
Solubility: | Soluble in water. |
Appearance: | light beige powder |
Hazard Symbols: | Xi |
Risk Codes: | 37/38-41 |
Safety: | 26-39 |
Transport Information: | UN 3265 |
PSA: | 154.91000 |
LogP: | -0.99220 |
(1-hydroxyethylidene)bisphosphonic acid tetramethyl ester
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% |
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% |
acetamide
ethyl 2-oxocyclohexane carboxylate
A
1-hydroxyethylene-(1,1-diphosphonic acid)
B
2-amino-2-phosphonocyclohexanecarboxylic acid
C
ammonium 1-aminoethane-1,1-diphosphonate
D
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% |
1-pentyl acetate
A
1-hydroxyethylene-(1,1-diphosphonic acid)
B
(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% |
acetamide
methyl 2-oxocyclopentane-1-carboxylate
A
1-hydroxyethylene-(1,1-diphosphonic acid)
B
ammonium 1-aminoethane-1,1-diphosphonate
C
α-amino cyclopentylphosphonic acid
D
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. |
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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 (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.
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. |
Reported in EPA TSCA Inventory.
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 , 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.