PHOSPHONOACETIC ACID

The Acetic acid,2-phosphono-, with the CAS registry number 4408-78-0, is also known as Carboxymethanephosphonic acid. It belongs to the product categories of Phosphonic/Phosphinic Acids Enzyme Inhibitors by Enzyme; Proline Dipeptidase; Organic Building Blocks; P to; Phosphorus Compounds. Its EINECS registry number is 224-558-1. This chemical's molecular formula is C₂H₅O₅P and molecular weight is 140.031861. Its IUPAC name is called 2-phosphonoacetic acid. This chemical's classification codes are Anti-Infective Agents; Anti-Retroviral Agents; Antiviral Agents; Enzyme inhibitors; Nucleic Acid Synthesis Inhibitors; Reverse Transcriptase Inhibitors. It is white powder. The product should be sealed and stored in dry and well-ventilated place.

Physical properties of Acetic acid,2-phosphono-: (1)ACD/LogP: -2.38; (2)ACD/LogD (pH 5.5): -6.51; (3)ACD/LogD (pH 7.4): -7.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.517; (12)Molar Refractivity: 22.82 cm³; (13)Molar Volume: 75.3 cm³; (14)Surface Tension: 101.4 dyne/cm; (15)Density: 1.858 g/cm³; (16)Flash Point: 250.2 °C; (17)Enthalpy of Vaporization: 82.85 kJ/mol; (18)Boiling Point: 490.2 °C at 760 mmHg; (19)Vapour Pressure: 6E-11 mmHg at 25°C.

Preparation: this chemical can be prepared by diethoxyphosphoryl-acetic acid ethyl ester. This reaction will need reagent aq. HCl.

Uses of Acetic acid,2-phosphono-: it can be used to produce 1-(dimethylamino)-2,2-bis[(dimethylimmonio)-methyl]ethene diperchlorate at temperature of 110 - 120 °C. This reaction will need reagent POCl₃ with reaction time of 2 hours. The yield is about 59%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(=O)O)P(=O)(O)O
(2)InChI: InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
(3)InChIKey: XUYJLQHKOGNDPB-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	unreported	200mg/kg (200mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 16, Pg. 132, 1974.