Pyrophosphate

HCID 644102

Notes Reactions

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Basic information

CAS: 14000-31-8
Standard SMILES: O=P([O-])([O-])OP(=O)([O-])[O-]
InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-J
Molecular formula: O7P2-4
Average molar mass: 173.94 g/mol
Monoisotopic mass: 173.91411992

Overview

Diphosphate(4-) is a diphosphate ion. It is a conjugate base of a diphosphate(3-).

Names & identifiers

Preferred name: Pyrophosphate
IUPAC: phosphonato phosphate
English name: Diphosphate
Molecular formula: O7P2
Molecular weight: 173.94

Names & synonyms

Pyrophosphate ion14000-31-8Diphosphate(4-)PyrometaphosphatePyrophosphate(4-) ion(phosphonatooxy)phosphonateX3SSV2V6L3CHEBI:18361PPi cpdRefChem:8710034-amino-6-(2-(4-(4-(2-(8-amino-1-hydroxy-5,7-disulfonaphthalen-2-yl)diazen-1-yl)-3-methylphenyl)-2-methylphenyl)diazen-1-yl)-5-hydroxynaphthalene-1,3-disulfonic aciddisodium;(hydroxy(oxido)phosphoryl) hydrogen phosphate

Show more names

Pyrophosphatediphosphatephosphonato phosphatePhosphate (P2O74-)Diphosphate (P2O74-)diphosphoric acid, ion(4-)DiphosphatesUNII-X3SSV2V6L3

Database identifiers

CAS: 14000-31-8
PubChem CID: 644102
DTXSID: DTXSID4074514
ChEBI: CHEBI:18361
UNII: X3SSV2V6L3
EC Number: 802-671-2
Nikkaji: J220.819I

Properties

Computed structural properties

XLogP: -3.5
Topological polar surface area: 136 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: -4
Complexity: 124

Physicochemical properties

FDA UNII: 3 SSV2V6L3 · X3SSV2V6L3
EPA Substance Registry System: Diphosphate (14000-31-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 446 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationDiphosphate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Toxicology

Health EffectsChronically high levels of pyrophosphate are associated with Hypophosphatasia.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362