Basic information
- CAS
22987-21-9- Standard SMILES
O=P(O)(O)CCO- InChIKey
SEHJHHHUIGULEI-UHFFFAOYSA-N- Molecular formula
- C2H7O4P
- Average molar mass
- 126.05 g/mol
- Monoisotopic mass
- 126.0081957
Overview
2-hydroxyethylphosphonic acid is a phosphonic acid consisting of ethanol with the phospho group at the 2-position. It is functionally related to a phosphonic acid. It is a conjugate acid of a 2-hydroxyethylphosphonic acid(1-).
Names & identifiers
- Preferred name
- 2-Hydroxyethanephosphonic acid
- IUPAC
- 2-hydroxyethylphosphonic acid
- English name
- 2-HYDROXYETHYL PHOSPHONIC ACID
- Molecular formula
- C2H7O4P
- Molecular weight
- 126.05
Names & synonyms
(2-Hydroxyethyl)phosphonic acid22987-21-92-Hydroxyethanephosphonic acid2-Hydroxyethylphosphonic acidCHEBI:11598A26D6AUP2DTXSID70177531RefChem:909922DTXCID30100022245-370-62-hydroxyethyl phosphonic acid2-Hydroxyethylphosphonate
Show more names
(2-hydroxyethyl)-phosphonicaci2-Hydroxyethyl phosphonic acid, 97 %Ethephon-hydroxy 100 μg/mL in Acetonitrile
Phosphonic acid, (2-hydroxyethyl)-Ethephon-hydroxyPhosphonic acid, P-(2-hydroxyethyl)-EINECS 245-370-6MFCD00043865BRN 1751212P-(2-Hydroxyethyl)-phosphonic AcidCHEMBL1229938
Database identifiers
- CAS
22987-21-9- PubChem CID
- 89954
- DTXSID
DTXSID70177531- ChEMBL
CHEMBL1229938- ChEBI
CHEBI:1159- UNII
- 8A26D6AUP2
- EC Number
- 245-370-6
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 83.7
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physicochemical properties
- Boiling point
- 398.8 · 398.8±44.0 °C(Predicted)
- Density
- 1.611 · 1.611±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Sparingly), Methanol (Slightly)
- form
- Colourless to Red Thick Oil to Semi-Solid
- pka
- 2.25 · 2.25±0.10(Predicted)
- Appearance
- Colorless to light yellow Viscous Liquid
- Stability
- Hygroscopic
- InChI
- InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)
- InChIKey
- SEHJHHHUIGULEI-UHFFFAOYSA-N
- SMILES
- P(CCO)(=O)(O)O
- EWG's Food Scores
- 1 · 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Applications
Uses2-Hydroxyethanephosphonic acid is an substrate used in the study of 2-hydroxyethylphosphonate dioxygenase reaction mechanism. 2-Hydroxyethanephosphonic Acid is also a required intermediate in labelled Fosfomycin (F727502) biosynthesis.
Upstream & downstream products
Upstream raw materials
Suppliers52 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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