13598-36-2 (Phosphonic acid)

1. Introduction

Product Name: Phosphonic acid
CAS No: 13598-36-2
Molecular Formula: H₃PO₃
Molecular Weight: 81.99566
Usage: Phosphonic acid is colorless crystals with density 1.65 g/cm³, easily deliquesces in air and soluble in water, corrosiveness and raw material of the manufacture for phosphite and plastic stabilizers. It is being widely used as reducing agent in chemical reaction, and also in synthetic fibre and agro-chemicals industry and etc..
Specifications of Phosphonic acid:

Items	Super Class	First Class
content (%)≥	99.0	98.5
Phosphate (%）≤	0.05	0.2
chloride (%）≤	0.005	0.01
Sulphate (%）≤	0.0001	0.006
Heavy metal（according to Pb%）≤	0.0002	0.001
Iron（%）≤	0.001	0.003
Water-solubility	colorless, pure	Excellent

Production:  15000 tons per year.
Package: Plastic woven bag, net weight 25kg ,500kg,1000kg.



2. Basic Information

Phosphonic acid, with its CAS registry number 13598-36-2, has its IUPAC Name of dihydroxy(oxo)phosphanium. With its molecular formula of H₃PO₃ and molecular weight of 81.99566, it also has its EINECS number of 237-066-7. It has other chemical names like phosphorous acid. Being sensitive to air and being hygroscopic, this chemical is soluble in water and alcohol, and it is incompatible with strong bases. When in normal temperature and pressure, this chemical is stable.

Production method of phosphonic acid are various, and one of these is as below: Hydrolysis method is usaully applied in industry. And the chemical reaction equation of this reaction is as below: PCI₃+3H₂O→H₃PO₃+3HCl. When comes to its storage method, it should be kept sealed in the cool, dry and well-ventilated place with the inert gas. Normally, phosphonic acid is slightly harmful to the water, so please do not pour large quantity of undiluted chemical into the underground water or sewerage. It is not allowed to discharge into the surrounding without goverment' permissions.

1). Properties

The other characteristics of Phosphonic acid (CAS NO.: 13598-36-2) can be summarized as: (1)ACD/LogP: -3.022; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.56; (4)ACD/LogD (pH 7.4): -7.39; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 81.

2). Safety Information

When you are dealing with phosphonic acid (CAS NO.: 13598-36-2), you should be careful. For one thing, it is corrosive that may may destroy living tissue on contact. For another thing, it is harmful if swallowed, and it may even cause burns.

Therefore, you should take some measures to protect youreself from danger. Wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice; And if in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).

3). Descriptors of Structure

(1)SMILES: OP(=O)O
(2)Std. InChI: InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)
(3)Std. InChIKey: ABLZXFCXXLZCGV-UHFFFAOYSA-N

4). Toxicity Information

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1700mg/kg (1700mg/kg)		Toksikologicheskii Vestnik. Vol. (6), Pg. 38, 1995.
rat	LD50	oral	1895mg/kg (1895mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 56(4), Pg. 24, 1991.