Basic information
- Standard SMILES
O=P(O)(O)O.o1op2oop1o2- InChIKey
FVYIVXLIMHNYTD-UHFFFAOYSA-N- Molecular formula
- H3O9P3
- Average molar mass
- 239.94 g/mol
Names & identifiers
- Preferred name
- 2,3,5,6,7-Pentaoxa-1,4-diphosphabicyclo[2.2.1]heptane;phosphoric acid
- IUPAC
- 2,3,5,6,7-pentaoxa-1,4-diphosphabicyclo[2.2.1]heptane;phosphoric acid
- English name
- polyphosphoric acid
- Molecular formula
- (H)n+2.(P)n.(O)3n+1
- Molecular weight
- 0
Names & synonyms
Database identifiers
- CAS
8017-16-1
Properties
Computed structural properties
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Melting point
- -20 °C · -20°C
- Boiling point
- 550 °C · 550 °C
- Density
- 2.06 g/mL · 2.06 g/mL at 25 °C
- vapor pressure
- 2 hPa · 2 hPa (20 °C)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Methanol (Soluble), Water (Soluble)
- form
- Viscous Liquid
- pka
- 0.91 · 0.91[at 20 ℃]
- Specific Gravity
- 2.06 · 2.06
- color
- Colorless
- Odor
- Odorless
- Viscosity
- 311.4 mm2/s · 311.4mm2/s
- Water Solubility
- MAY DECOMPOSE
- Sensitive
- Hygroscopic
- Merck
- 14 · 14,7580
- Stability
- Stable. Incompatible with strong bases. Hygroscopic.
- InChI
- 1S/O5P2.H3O4P/c1-2-7-4-3-6(1)5-7;1-5(2,3)4/h;(H3,1,2,3,4)
- InChIKey
- FVYIVXLIMHNYTD-UHFFFAOYSA-N
- SMILES
- [P](=O)(O)(O)O.[p]21[o][p]([o][o]2)[o][o]1
- Indirect Additives used in Food Contact Substances
- POLYPHOSPHORIC ACID
- CAS DataBase Reference
- 8017 · 8017-16-1(CAS DataBase Reference)
- EPA Substance Registry System
- Polyphosphoric acids (8017-16-1)
- UNSPSC Code
- 12352301 · 12352301
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 290 · H290-H314
- Precautionary statements
- 234 · P234-P260-P264-P280-P390-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P305+P351+P338-P406-P405-P501
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 45 · 45-36/37/39-25-26
- RIDADR
- 3264 · 3264
- WGK Germany
- 1 · 1
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 28092000 · 28092000
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Met · Eye Dam. 1Met. Corr. 1Skin Corr. 1B
- Hazardous Substances Data
- 8017 · 8017-16-1(Hazardous Substances Data)
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
Safety data
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- 3264
- hs_code
- 28092000
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 45-36/37/39-25-26
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H290-H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Eye Dam. 1Met. Corr. 1Skin Corr. 1B
- Precautionary statements
- P234-P260-P264-P280-P390-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P305+P351+P338-P406-P405-P501
- Hazardous Substances Data
- 8017-16-1(Hazardous Substances Data)
Chemistry & industry
Applications
DescriptionSuperphosphoric acid is made by the concentration of regular wet-process acid up to P2O5 concentrations of 78%. Granular polyphosphates suitable for bulk blending are made by reacting ammonia with regular wet process acid of 52% P2O5 content and using the heat of reaction to drive off water to produce a phosphate melt of 10-43-0, with about 40% of the phosphorus in the polyphosphate form. These materials are, however, not suitable for bulk blending due to their “sticky” nature (10).
UsesDehydrating, catalytic, and sequestering agents, for metal treating; many applications where a con- centrated monooxidizing acid is needed; laboratory reagent.
UsesPolyphosphoric Acid is a ligand used as an analytical tool to image nanoparticles through photon emission topography. Used also in the synthesis of pharmaceuticals.
UsesPolyphosphoric acid can be used as an analytical reagent in chemical industry and a powerful dehydrating agent for organic synthesis. It is used in production of acid phosphates and pharmaceuticals. Intermediate for production of phosphate esters with high mono-ester content. Polyphosphoric acid can be used as a catalyst during synthesis of dimethyl carbonate from urea and methanol. It is widely employed as acylation and alkylation reagent in various reactions. It can be used as a catalyst in the synthesis of various aromatic ketones. It may be used to prepare silica-supported polyphosphoric acid, an easy to handle, reusable heterogeneous catalyst. Polyphosphoric acid may be used in the synthesis of aromatic sulfones, N-substituted amides and 4-aminobenzophenones. Used as a catalyst and absorbent of ammonia during the synthesis of dimethyl carbonate (DMC). Used as a solvent in the synthesis of hyperbranched polybenzoxazoles.
General DescriptionPolyphosphoric acid (PPA) is widely employed as acylation and alkylation reagent in various reactions. It is a strong mineral acid with excellent dehydrating properties.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Additional notes
DefinitionChEBI: A polymerized phosphorus oxoacid of general formula HO[PO2OH]nH formed by condensation of orthophosphoric acid molecules and containing a backbone chain consisting of alternating P and O atoms covalent y bonded together.
Related reactions
No reaction records under the current filter.
Linked notes
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