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(1-Hydroxyethylidene)-1,1-Diphosphonic Acid
CAS: 2809-21-4 | C2H8O7P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2809-21-4
Molecular Formula:
C2H8O7P2
Molecular Weight:
206.027 g/mol
Names and Synonyms:
(1-Hydroxyethylidene)-1,1-Diphosphonic Acid
Common Name
Turpinal SL
Synonym
(1-Hydroxyethylidene)bisphosphonic acid
Synonym
HEDP
Synonym
Dequest 2015
Synonym
1-Hydroxy-1,1-diphosphonoethane
Synonym
Dequest 2010
Synonym
EHDP
Synonym
1-Hydroxyethanediphosphonic acid
Synonym
Hydroxyethanediphosphonic acid
Synonym
Oxyethylidenediphosphonic acid
Synonym
1000SL
Synonym
(1-Hydroxyethylidene)-1,1-diphosphonic acid
Synonym
Dequest Z 010
Synonym
(1-Hydroxyethylidene)diphosphonic acid
Synonym
Ethane-1-hydroxy-1,1-diphosphonic acid
Synonym
Etidronic acid
Synonym
1-Hydroxyethane-1,1-diphosphonic acid
Synonym
P,P′-(1-Hydroxyethylidene)bis[phosphonic acid]
Synonym
Phosphonic acid, (1-hydroxyethylidene)bis-
Synonym
Phosphonic acid, (1-hydroxyethylidene)di-
Synonym
Dequest LC 2010
Synonym
1-Hydroxyethyl-1,1-diphosphoric acid
Synonym
Dequest 2010EG
Synonym
Belclene 660LA
Synonym
H 501 (corrosion inhibitor)
Synonym
H 501
Synonym
Aquacid 105
Synonym
Aquacid 105NS
Synonym
Aquacid 105EXLC
Synonym
Aquacid 105EXSP
Synonym
Aquacid 105CG
Synonym
Aquacid 105EX
Synonym
1-Hydroxyethylidene-1,1-diphoshonic acid
Synonym
Dequest 2010R
Synonym
Dequest D 2010
Synonym
Chelest PH 210L
Synonym
Kochtreat 75
Synonym
Xidifon
Synonym
Feliox 115A
Synonym
Dequest 2010LA
Synonym
Etidronate
Synonym
Ethidronate
Synonym
Ethydronate
Synonym
Acidum etidronicum
Synonym
Briquest ADPA-A
Synonym
1-Hydroxyethylidene-1,1-diphosphoric acid
Synonym
OEDFK
Synonym
Chelate 101
Synonym
Feliox CY 115
Synonym
Belclene 660
Synonym
NSC 227995
Synonym
Mascol P 210
Synonym
1-Hydroxyethylidene-1,1′-diphosphonic acid
Synonym
Sequion 10H
Synonym
Anti Cal 5
Synonym
Unihib 106
Synonym
Acetodiphosphonic acid
Synonym
Briquest ADPA 60A
Synonym
Dequest 16
Synonym
Sone 16
Synonym
1-Hydroxyethane-1,1-diyldiphosphonic acid
Synonym
Dequest 2010CS
Synonym
Cublen K 60
Synonym
RP 61
Synonym
Terpil SL
Synonym
Masquol P 210
Synonym
Turpinal SLR
Synonym
HDEPA
Synonym
Mayoquest 1500
Synonym
Defloc EH 06
Synonym
Ksidifon
Synonym
Xidiphone
Synonym
OEDP
Synonym
OEDF
Synonym
Tecquest 360
Synonym
Lonza 106
Synonym
Xydiphone
Synonym
Wayplex
Synonym
Feliox 115
Synonym
(1-Hydroxyethylidene)-1,1-bis(phosphonic acid)
Synonym
Ferrofos 510
Synonym
1-Hydroxyethane-1,1-bisphosphonic acid
Synonym
Phosphonic acid, P,P′-(1-hydroxyethylidene)bis-
Synonym
Identifiers:
SMILES:
CC(O)(P(=O)(O)O)P(=O)(O)O
InChI:
InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 206.027 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 205.974525856 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 5 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 135.29000000000002 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.9922000000000002 | RDKit |
| cas-canonical-smile | O=P(O)(O)C(O)(C)P(=O)(O)O None | Legacy Database |
| cas-inchi | InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9) None | Legacy Database |
| cas-inchi-key | InChIKey=DBVJJBKOTRCVKF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 155 °C (decomp) None | Legacy Database |
| cas-name | (1-Hydroxyethylidene)-1,1-diphosphonic acid None | Legacy Database |
| molecular_mass | 206.03 g/mol | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 34.711999999999996 | RDKit |