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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
Turpinal SL
(1-Hydroxyethylidene)bisphosphonic acid
HEDP
Dequest 2015
1-Hydroxy-1,1-diphosphonoethane
Dequest 2010
EHDP
1-Hydroxyethanediphosphonic acid
Hydroxyethanediphosphonic acid
Oxyethylidenediphosphonic acid
1000SL
(1-Hydroxyethylidene)-1,1-diphosphonic acid
Dequest Z 010
(1-Hydroxyethylidene)diphosphonic acid
Ethane-1-hydroxy-1,1-diphosphonic acid
Etidronic acid
1-Hydroxyethane-1,1-diphosphonic acid
P,P′-(1-Hydroxyethylidene)bis[phosphonic acid]
Phosphonic acid, (1-hydroxyethylidene)bis-
Phosphonic acid, (1-hydroxyethylidene)di-
Dequest LC 2010
1-Hydroxyethyl-1,1-diphosphoric acid
Dequest 2010EG
Belclene 660LA
H 501 (corrosion inhibitor)
H 501
Aquacid 105
Aquacid 105NS
Aquacid 105EXLC
Aquacid 105EXSP
Aquacid 105CG
Aquacid 105EX
1-Hydroxyethylidene-1,1-diphoshonic acid
Dequest 2010R
Dequest D 2010
Chelest PH 210L
Kochtreat 75
Xidifon
Feliox 115A
Dequest 2010LA
Etidronate
Ethidronate
Ethydronate
Acidum etidronicum
Briquest ADPA-A
1-Hydroxyethylidene-1,1-diphosphoric acid
OEDFK
Chelate 101
Feliox CY 115
Belclene 660
NSC 227995
Mascol P 210
1-Hydroxyethylidene-1,1′-diphosphonic acid
Sequion 10H
Anti Cal 5
Unihib 106
Acetodiphosphonic acid
Briquest ADPA 60A
Dequest 16
Sone 16
1-Hydroxyethane-1,1-diyldiphosphonic acid
Dequest 2010CS
Cublen K 60
RP 61
Terpil SL
Masquol P 210
Turpinal SLR
HDEPA
Mayoquest 1500
Defloc EH 06
Ksidifon
Xidiphone
OEDP
OEDF
Tecquest 360
Lonza 106
Xydiphone
Wayplex
Feliox 115
(1-Hydroxyethylidene)-1,1-bis(phosphonic acid)
Ferrofos 510
1-Hydroxyethane-1,1-bisphosphonic acid
Phosphonic acid, P,P′-(1-hydroxyethylidene)bis-
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 206.03 g/mol | Legacy Database |
| cas-canonical-smile | O=P(O)(O)C(O)(C)P(=O)(O)O | 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) | Legacy Database | |
| cas-inchi-key | InChIKey=DBVJJBKOTRCVKF-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 155 °C (decomp) | Legacy Database | |
| cas-name | (1-Hydroxyethylidene)-1,1-diphosphonic acid | Legacy Database | |
| LogP | -0.9922000000000002 | RDKit | |
| Molecular | Molecular Weight | 206.027 g/mol | RDKit |
| Exact | Exact Molecular Weight | 205.974525856 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 5 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 135.29000000000002 Ų | RDKit |
| Molar | Molar Refractivity | 34.711999999999996 | RDKit |
