2-[Hydroxy(methyl)phosphoryl]acetic acid
Basic information
- CAS
72651-25-3- Standard SMILES
CP(=O)(O)CC(=O)O- InChIKey
OPUAUEHUWLKKIV-UHFFFAOYSA-N- Molecular formula
- C3H7O4P
- Average molar mass
- 138.06 g/mol
- Monoisotopic mass
- 138.0081957
Names & identifiers
- Preferred name
- 2-[Hydroxy(methyl)phosphoryl]acetic acid
- IUPAC
- 2-[hydroxy(methyl)phosphoryl]acetic acid
- English name
- Acetic acid, 2-(hydroxymethylphosphinyl)-
- Molecular formula
- C3H7O4P
- Molecular weight
- 138.06
Names & synonyms
2-[hydroxy(methyl)phosphoryl]acetic acid72651-25-3Oprea1_500737SCHEMBL4252447CHEMBL3245447DTXSID7010286422-(Hydroxymethylphosphinyl)acetic acidAKOS0063759462-methylphosphinico-acetic acid (MPA)MSK158199-100W2-[hydroxy(methyl)phosphoryl]aceticacidNS00067469
Show more names
Fosinopril Impurity 4Fosinopril impurity 112-(hydroxy(methyl)phosphoryl)acetic acidAcetic acid, 2-(hydroxymethylphosphinyl)-
EN300-7616432-[Hydroxy(methyl)phosphoryl]acetic acid Solution in Water, 100ug/mL
Database identifiers
- CAS
72651-25-3- PubChem CID
- 514150
- DTXSID
DTXSID701028642- ChEMBL
CHEMBL3245447- EC Number
- 111-039-9
- Nikkaji
- J1.429.707C
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 140
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physicochemical properties
- Melting point
- 93 · 93-96°C
- Boiling point
- 516.917 · 516.917±33.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.464 · 1.464±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.37 · 2.370±0.50(predicted)
- InChI
- 1S/C3H5O4P/c4-2-8(7)1-3(5)6/h4H,1-2H2/p+1
- InChIKey
- WDRKKPROFBHWLL-UHFFFAOYSA-O
- SMILES
- OC(CP(O)(C)=O)=O
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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