Basic information
- CAS
89873-30-3- Standard SMILES
O=C(CP(=O)(O)O)NO- InChIKey
LDKRAXXVBWHMRH-UHFFFAOYSA-N- Molecular formula
- C2H6NO5P
- Average molar mass
- 155.05 g/mol
- Monoisotopic mass
- 154.99835929
Overview
Phosphonoacetohydroxamic acid is the hydroxamate of phosphonoacetic acid. It is a hydroxamic acid and an organic phosphonate. It is functionally related to an acetic acid.
Names & identifiers
- Preferred name
- P-(2-(Hydroxyamino)-2-oxoethyl)phosphonic acid
- IUPAC
- [2-(hydroxyamino)-2-oxoethyl]phosphonic acid
- English name
- phosphonoacetohydroxamate
- Molecular formula
- C2H6NO5P
- Molecular weight
- 155.05
Names & synonyms
89873-30-3[(hydroxycarbamoyl)methyl]phosphonic acidQMJ2VH9SGQ((HYDROXYCARBAMOYL)METHYL)PHOSPHONIC ACIDP-(2-(HYDROXYAMINO)-2-OXOETHYL)PHOSPHONIC ACIDRefChem:390412857-537-6PhosphonoacetohydroxamatePHOSPHONOACETOHYDROXAMIC ACID[2-(hydroxyamino)-2-oxoethyl]phosphonic acid(2-(Hydroxyamino)-2-oxoethyl)phosphonic acid2-(Hydroxyamino)-2-oxoethylphosphonic acid, 90%
Show more names
Phosphonic acid, P-[2-(hydroxyamino)-2-oxoethyl]-
1ebg1elsPHAHUNII-QMJ2VH9SGQSCHEMBL411386CHEMBL328944SCHEMBL1286786phosphonoacetohydroxamate (PhAH)
Database identifiers
- CAS
89873-30-3- PubChem CID
- 445375
- DTXSID
DTXSID801009027- ChEMBL
CHEMBL328944- ChEBI
CHEBI:44692
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 1.842 · 1.842±0.06 g/cm3(Predicted)
- pka
- 1.74 · 1.74±0.10(Predicted)
- FDA UNII
- 2 VH9SGQ · QMJ2VH9SGQ
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H302-H332-H335-H312
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H315-H302-H332-H335-H312
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Suppliers2 total
MATRIX[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Additional notes
DefinitionChEBI: The hydroxamate of phosphonoacetic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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