2466-09-3

Hazards Identification

Pictogram(s):

Signal:

Danger

GHS Hazard Statements:

H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H332: Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statement Codes:

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

Hazard Classes and Categories:

Acute toxicity - category 4
Skin corrosion - category 1

Hazards Summary:

Causes somnolence, ataxia, and dyspnea in oral lethal-dose studies of rats; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Acros Organics MSDS]

Usage

Uses

1. Used in Chemical Industry:
Pyrophosphoric acid is used as a catalyst for the manufacture of organic phosphate esters, enhancing the rate of pyrophosphate hydrolysis by nonenzymatic catalysis and by inorganic pyrophosphatase.
2. Used in Metal Treatment:
Pyrophosphoric acid is employed in the metal treatment industry, where it plays a role in various processes.
3. Used as a Stabilizer:
Pyrophosphoric acid is used as a stabilizer for organic peroxides, providing stability and safety in their handling and application.
4. Used in Anion Binding:
Pyrophosphoric acid is used in the anion binding of inorganic phosphates due to its ability to form complexes, which is beneficial in various chemical processes.
5. Used in the Preparation of Vanadyl Pyrophosphato Methoxide Cluster Anion:
Pyrophosphoric acid is utilized in the preparation of vanadyl pyrophosphato methoxide cluster anion, which has potential applications in various fields.
Physical Properties:
Pyrophosphoric acid exists as colorless needles or liquid and is extremely soluble in cold water, reacting very slowly to form phosphoric acid. It decomposes much faster in hot water and is very soluble in alcohol and ether. It crystallizes in two anhydrous forms: a metastable form melting at 54.3°C and a more stable form melting at 71.5°C.
Chemical Properties:
Pyrophosphoric acid is a white to very pale yellow glassy solid, obtained by the condensation of two molecules of phosphoric acid, forming an acyclic phosphorus acid anhydride.

Preparation

Pyrophosphoric acid may be prepared by heating orthophosphoric acid at 215°C: 2H3PO4 → H4P2O7 + H2O The acid solution in pure form can be obtained by ion exchange, passing an aqueous solution of sodium pyrophosphate, Na4P2O7, through a suitable cation exchange column.

Preparation

According to early investigators, the pyro-acid is formed as low as 100 °C, and the conversion is complete between 255 and 260 °C. Phosphorous oxychloride reacts with phosphoric acid in the following manner: 5H3PO4 + POC13?3H4P2O7 + 3HC1 A mixture of the ortho- and meta-acids may be condensed together to form the pyro-acid by heating on the water bath: nH3PO4 +[HPO3]n?[H4P2O7]n

Reactions

The acid has four replacable H+ ions. Its dissociation constants indicate that two H+ ions are strongly acidic while the other two protons are weakly acidic. The first dissociation constant especially is very large: H4P2O7 + H2O ? H3O+ + H3P2O7ˉ ? ? ? ? ?Ka1 ~ 10–1 H3P2O7ˉ+ H2O ? H3O+ + H2P2O72– ? ? ? ? Ka2 ~ 1.5x10–2 PHOSPHORIC ACID, PYRO 701H2P2O72ˉ + H2O ? H3O+ + HP2O73– ? ? ?Ka3 ~ 2.7x10–7 HP2O73ˉ + H2O ? H3O+ + P2O74ˉ ? ? ? ? ?Ka4 ~ 2.4x10–10 Pyrophosphoric acid forms acid salts, such as NaH3P2O7 and Na2H2P2O7.

InChI:InChI=1/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)

Upstream product

• 13598-36-2 phosphonic Acid 
• 7726-95-6 bromine 
• 86119-84-8 phosphoric acid 
• 10025-87-3 trichlorophosphate 
• 10026-13-8 phosphorus pentachloride 
• 13566-25-1 trimetaphosphoric acid 
• 16752-60-6 phosphorus pentoxide 
• 7697-37-2 nitric acid 
• 10544-72-6 dinitrogen tetraoxide 
• 7783-06-4 hydrogen sulfide 
• 27590-04-1 imidodiphosphate 
• 16566-52-2 hypodiphosphate 
• 16752-60-6 M-P₂O₅ (monomeric P₄O₁₀) 
• 10380-08-2 triphosphoric acid 

Downstream Products

• 96449-14-8 bromofluoroacetonitrile 

Relevant academic research and scientific papers

Growth, single crystal investigation, hirshfeld surface analysis, DFT studies, molecular docking, physico-chemical characterization and, in vitro, antioxidant activity of a novel hybrid complex

Interaction of the diphosphoric acid (H4P2O7) and organic ligand (3.4-dimethylaniline) with transition metal ions, cobalt (II) chloride leads to the formation of novel stable Co(II)-diphosphate cluster with empirical formula (C8H12N)2[Co(H2P2O7)2(H2O)2].2H2O. The structure of the synthesized material was confirmed by single crystal XRD at 120 ?K. The crystal was plate and crystallized in the triclinic P 1ˉ space group with a ?= ?7.5340(4) ?, b ?= ?7.5445(4) ?, c ?= ?13.6896(8) ?, α ?= ?84.215(5)°, β ?= ?76.038(5)°, γ ?= ?74.284(5)°, V ?= ?726.38(7) ?3 and Z ?= ?1. Full-matrix least-squares refinement converged at R ?= ?0.035 and Rw ?= ?0.088 for 3636 independent observed reflections. Indeed, the purity phase was confirmed by the powder X-ray diffraction. A detailed analysis of the intermolecular close interactions and their percentage contribution has been performed based on the Hirshfeld surfaces and their associated two-dimensional fingerprint plots. In this context, spectroscopic studies were performed to distinguish the different chemical functional groups and their environments in this molecule. To determine the optical properties, the UV–Visible and luminescence behavior were investigated. The magnetic properties have been investigated in the temperature range 2–300 k. The geometry of the hybrid complex was optimized in the gas phase, using density functional theory (B3LYP) with the 6-31+G (d,p) basis sets, it is found that the calculated and the experimental results were in good consistency. Furthermore, the synthesized product was screened for its antioxidant activities. Molecular docking study was additionally carried.

Synthesis of double ammonium’calcium pyrophosphate monohydrate Ca(NH4)2P2O7?H2O as the p recursor of biocompatible phases of calcium phosphate ceramics

Double calcium’ammonium pyrophosphate monohydrate Ca(NH4)2P2O7?H2O was synthesized as a result of the interaction of calcium carbonate, an aqueous solution containing pyrophosphoric and lactic acids, and ammonia. The synthesized powder turned black after the thermal treatment in a range of 500—700 °C due to amorphous carbon, which is a product of the destruction of the organic nature components present in the prepared powder. After the thermal treatment at 500 °C, the powder is amorphous to X-rays. The phase composition of the powder after the thermal treatment at 600 °C is presented by β-calcium polyphosphate β-Са(PO3)2, while β-calcium polyphosphate β-Ca(PO3)2 and tromelite Ca4P6О19 are observed after the thermal treatment at 700 °C. The calcium phosphate powder colored due to presence of amorphous carbon can be used as a photocured suspension component that increases the resolution in stereolithographic printing of pre-ceramic semifinished products with a specified geometry of the pore space of calcium phosphate ceramic matrices. The synthesized powder of double calcium’ammonium pyrophosphate monohydrate Ca(NH4)2P2O7?H2O can be applied as a precursor of biocompatible phases for the fabrication of calcium phosphate ceramics used in medicine for the treatment of bone tissue defects.

Reaction Mechanism of Iodine-Catalyzed Michael Additions

Molecular iodine, an easy to handle solid, has been successfully employed as a catalyst in different organic transformations for more than 100 years. Despite being active even in very small amounts, the origin of this remarkable catalytic effect is still unknown. Both a halogen bond mechanism as well as hidden Br?nsted acid catalysis are frequently discussed as possible explanations. Our kinetic analyses reveal a reaction order of 1 in iodine, indicating that higher iodine species are not involved in the rate-limiting transition state. Our experimental investigations rule out hidden Br?nsted acid catalysis by partial decomposition of I2 to HI and suggest a halogen bond activation instead. Finally, molecular iodine turned out to be a similar if not superior catalyst for Michael additions compared with typical Lewis acids.

Mechanistic evaluation of a nucleoside tetraphosphate with a thymidylyltransferase

Pyrimidine polyphosphates were first detected in cells 5 decades ago; however, their biological significance remains only partially resolved. Such nucleoside polyphosphates are believed to be produced nonspecifically by promiscuous enzymes. Herein, synthetically prepared deoxythymidine 5′-tetraphosphate (p4dT) was evaluated with a thymidylyltransferase, Cps2L. We have identified p4dT as a substrate for Cps2L and evaluated the reaction pathway by analysis of products using high-performance liquid chromatography, liquid chromatography and tandem mass spectrometry, and 31P nuclear magnetic resonance spectroscopy. Product analysis confirmed production of dTDP-Glc and triphosphate (P3) and showed no trace of dTTP-Glc and PPi, which could arise from alternative pathways for the reaction mechanism.

The effect of bisphosphonate acidity on the activity of a thymidylyltransferase

Thymidylyltransferases (thymidine diphospho pyrophosphorylases) are nucleotidylyltransferases that play key roles in the biosynthesis of carbohydrate components within bacterial cell walls and in the biosynthesis of glycosylated natural products. They catalyze the formation of sugar nucleotides concomitant with the release of pyrophosphate. Protein engineering of thymidylyltransferases has been an approach for the production of a variety of non-physiological sugar nucleotides. In this work, we have explored chemical approaches towards modifying the activity of the thymidylyltransferase (Cps2L) cloned from S. pneumoniae, through the use of chemically synthesized 'activated' nucleoside triphosphates with enhanced leaving groups, or by switching the metal ion co-factor specificity. Within a series of phosphonate-containing nucleoside triphosphate analogues, thymidylyltransferase activity is enhanced based on the acidity of the leaving group and a Br?nsted-type analysis indicated that leaving group departure is rate limiting. We have also determined IC50 values for a series of bisphosphonates as inhibitors of thymidylyltransferases. No correlation between the acidity of the inhibitors (pKa) and the magnitude of enzyme inhibition was found. The Royal Society of Chemistry.

2-methyl-3-butenyl-1-pyrophosphoric acid salts and agents for treating lymphocytes

A pharmaceutically acceptable salt of 2-methyl-3-butenyl-1-pyrophosphoric acid; an agent for treating lymphocytes which comprises at least one of 2-methyl-3-butenyl-1-pyrophosphoric acid, a pharmaceutically acceptable salt thereof, and a hydrate thereof; Vγ2Vδ2 type T cells treated by the same; and a medicine containing the same specifically stimulate and proliferate the human Vγ2Vδ2 type T cells, and also induce and enhance an antitumor activity thereof.

DRUG DISCHARGE PUMP INHIBITORS

A medicament for preventive and/or therapeutic treatment of a microbial infection having an activity of eliminating resistance of a microorganism with acquired resistance to an antimicrobial agent, which comprises as an active ingredient a compound represented by the following general formula (I), a physiologically acceptable salt thereof, or a hydrate thereof: wherein R1 and R2 independently represent hydrogen atom, a halogen atom, carboxyl group and the like; J1 represents a 5- or 6-membered heteroaromatic ring; W1 represents -CH=CH-, -C≡C-, -CH2CH2- and the like; A1 represents phenylene group, pyridinediyl group, furandiyl group and the like; G1 represents oxygen atom, carbonyl group, ethynyl group and the like; p represents an integer of from 0 to 3; G2 represents phenylene group, furandiyl group, tetrahydrofurandiyl group and the like; G3 represents -CH2- or single bond; m and n represent an integer of 0 or 1; and Q1 represents an acidic group.

Structure of (C3H5NH3)2H2P 2O7H2O

The bis(cyclopropylammonium)dihydrogenodiphosphate monohydrate is a new diphosphate associated with the organic molecule C3H5NH2. We report the chemical preparation and the crystal structure of this organic cation diphosphate. (C3H5NH3)2H2P 2O7H2O is orthorhombic (S.G. : P212121), with Z = 4 and the following unit-cell parameters : a = 4.828(1) A, b = 11.011(1) A, c = 25.645(2) A. The P2O7 groups and H2O water molecules form a succession of bidimensional layers perpendicular to the c axis. The organic cations ensure the three-dimensional cohesion by NH - O hydrogen bonds. Elsevier,.

Process for producing maleic anhydride

Maleic anhydride is produced by the oxidation of a nonaromatic hydrocarbon having at least four carbon atoms in a straight chain with molecular oxygen or a molecular oxygen-containing gas in the vapor phase in the presence of a phosphorus-vanadium mixed oxide catalyst. Such catalysts are prepared by contacting a tetravalent vanadium compound, dissolved in an aqueous, non-oxidizing acid medium, with crystalline diphosphoric acid to form a phosphorus-vanadium mixed oxide catalyst precursor. The resulting catalyst precursor-containing solution is subjected to a series of concentration/dilution cycles to induce crystallization of the catalyst precursor. The crystals are collected, dried, formed into desired structures, and calcined at temperatures from about 300° C. to about 600° C.

Process for preparing phosphorus-vanadium mixed oxide catalysts

Phosphorus-vanadium mixed oxide catalysts are prepared by contacting a tetravalent vanadium compound, dissolved in an aqueous, non-oxidizing acid medium, with crystalline diphosphoric acid to form a phosphorus-vanadium mixed oxide catalyst precursor. The resulting catalyst precursor-containing solution is subjected to a series of concentration/dilution cycles to induce crystallization of the catalyst precursor. The crystals are collected, dried, formed into desired structures, and calcined at temperatures from about 300° C. to about 600° C.