Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1- InChIKey
XZKIHKMTEMTJQX-UHFFFAOYSA-N- Molecular formula
- C6H6NO6P
- Average molar mass
- 219.09 g/mol
- Monoisotopic mass
- 218.99327391
Names & identifiers
- Preferred name
- 4-Nitrophenyl Phosphate
- IUPAC
- (4-nitrophenyl) dihydrogen phosphate
- English name
- p-Nitrophenyl phosphate di(Tris) salt
- Molecular formula
- C6H6NO6P
- Molecular weight
- 219.09
Names & synonyms
Show more names
Database identifiers
- CAS
12778-12-0、330-13-2- PubChem CID
- 378
- DTXSID
DTXSID60861876- ChEMBL
CHEMBL24231- ChEBI
CHEBI:17440- UNII
- 59NF9TE3BA
- EC Number
- 206-353-9
- Nikkaji
- J1.008.477F、J1.008.478D、J1.222.960G、J32.922C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 153 °C · 153 °C
- Boiling point
- 457.8 · 457.8±47.0 °C(Predicted)
- Density
- 1.712 · 1.712±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: 0.1 g/mL, clear
- pka
- 0.86 · 0.86±0.30(Predicted)
- color
- White to light yellow crystalline powder
- FDA UNII
- 59 NF9TE3BA · 59NF9TE3BA
- EPA Substance Registry System
- Phosphoric acid, mono(4-nitrophenyl) ester (330-13-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302, H315, H319, H335
- Precautionary statements
- 280 · P280, P305+P351+P338
- WGK Germany
- 3 · 3
- F
- 8 · 8-10-21
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- F
- 8-10-21
- wgk
- 3
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302, H315, H319, H335
- Precautionary statements
- P280, P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Colorless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into colored compounds; used in biochemical assays and in diagnosis as indicators, especially in the form of enzyme substrates. Synonym: chromogens (not to be confused with pigment-synthesizing bacteria also called chromogens).
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Uses & manufacturing
Applications
Uses4-Nitrophenyl phosphate undergoes hydrolysis readily, and is used for measuring alkaline phosphatase activity in human serum.
Upstream & downstream products
Downstream products
Suppliers28 total
Additional notes
DefinitionChEBI: 4-nitrophenyl phosphate is an aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol. It has a role as a mouse metabolite. It is functionally related to a 4-nitrophenol. It is a conjugate acid of a 4-nitrophenyl phosphate(2-).
Related reactions
Linked notes
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