4-Nitrophenyl Phosphate

HCID 378CAS 12778-12-0

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

4-nitrophenyl phosphate330-13-24-Nitrophenyl dihydrogen phosphatep-nitrophenyl phosphateNitrophenylphosphatePhosphoric acid, mono(4-nitrophenyl) esterp-Nitrophenyl dihydrogen phosphate(4-nitrophenyl) dihydrogen phosphatep-Nitrophenol phosphate4-nitrophenylphosphate(4-nitrophenoxy)phosphonic acidPhenol, p-nitro-, dihydrogen phosphate
Show more names
pNNPp NNPp-NNPCPD-194PNPP-TRISNO2-phen-PPNPP, 2TRISnitrophenol-PP-NPP, DITRIS SALT
Phosphoric acid, mono(p-nitrophenyl) ester59NF9TE3BADTXSID60861876NSC-40408612778-12-0CHEBI:17440DTXSID00925981RefChem:526001

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

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)

Safety & regulation

GHS classification

GHS Classification · 5 items

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

Hazards SummarySee Paraoxon. See o-Nitroanisole.
Hazard Classes and CategoriesAcute Tox. 4 (66.7%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (66.7%)

Safety data

F
8-10-21
wgk
3
tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302, H315, H319, H335

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

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

General Manufacturing InformationPhosphoric acid, mono(4-nitrophenyl) ester: ACTIVE

Applications

Uses4-Nitrophenyl phosphate undergoes hydrolysis readily, and is used for measuring alkaline phosphatase activity in human serum.

Upstream & downstream products

Suppliers28 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Additional notes · 1 item

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

2 records

Linked notes

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