Phosphonoacetic acid

Description

Phosphonoacetic acid · CAS 4408-78-0 · C2.H5.O5.P. UNII N919E46723. Melting Point: 143-146 °C; Melting Point: 143 - 146 °C; Solubility: 392000.

Identification

CAS Registry Number	4408-78-0
PubChem CID	546
Molecular formula	C2.H5.O5.P
IUPAC name	2-phosphonoacetic acid
UNII (FDA)	N919E46723

Computed Descriptors

Molecular Weight	140.03
XLogP3	-2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	139.98746025
Monoisotopic Mass	139.98746025
Topological Polar Surface Area	94.8
Heavy Atom Count	8
Formal Charge	0

Physical & Chemical Properties

Melting Point	143-146 °C
Melting Point	143 - 146 °C
Solubility	392000
Solubility	392 mg/mL at 0 °C
Vapor Pressure	0.00000067 [mmHg]
Collision Cross Section	134.4 Ų [M+Na]+

Physical description & handling notes

• White crystalline powder; Odorless and hygroscopic; [Alfa Aesar MSDS]
• Solid
• 134.5 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

GHS Hazard Classification

Reported hazard statements	H302 (88.6%), H314 (11.4%)

Documented Uses

• A simple organophosphorus compound that inhibits DNA polymerase, especially in viruses and is used as an antiviral agent. [ChemIDplus]
• Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
• Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
• Inhibitors of reverse transcriptase (RNA-DIRECTED DNA POLYMERASE), an enzyme that synthesizes DNA on an RNA template.
• J - Antiinfectives for systemic use
• J05 - Antivirals for systemic use

Synonyms

Phosphonoacetic acid; 4408-78-0; Fosfonet; Acetic acid, phosphono-; Carboxymethanephosphonic acid; Phosphonacetic acid; NSC-18205; DTXSID2045107; CHEBI:15732; DTXCID0025107; N919E46723; NSC18205; RefChem:862336; Phosphonoacetate, Disodium; 224-558-1; 2-phosphonoacetic acid

Frequently Asked Questions

What are the CAS number and molecular formula of Phosphonoacetic acid?

CAS 4408-78-0; molecular formula C2.H5.O5.P; molecular weight — g/mol.

What other names is Phosphonoacetic acid known by?

Phosphonoacetic acid, 4408-78-0, Fosfonet, Acetic acid, phosphono-, Carboxymethanephosphonic acid, Phosphonacetic acid.

Is Phosphonoacetic acid classified as hazardous?

Hazard statements reported: H302, H314.

What are the key physical properties of Phosphonoacetic acid?

Melting Point: 143-146 °C; Melting Point: 143 - 146 °C; Solubility: 392000; Solubility: 392 mg/mL at 0 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.