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Disodium 4-nitrophenyl phosphate

HCID 77949
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
4264-83-9
Standard SMILES
O=[N+]([O-])c1ccc(OP(=O)([O-])[O-])cc1.[Na+].[Na+]
InChIKey
VIYFPAMJCJLZKD-UHFFFAOYSA-L
Molecular formula
C6H4NNa2O6P
Average molar mass
263.05 g/mol
Monoisotopic mass
262.95716241

Names & identifiers

Preferred name
Disodium 4-nitrophenyl phosphate
IUPAC
disodium;(4-nitrophenyl) phosphate
English name
Disodium 4-nitrophenylphosphate
Molecular formula
C6H7NNaO6P
Molecular weight
243.09

Names & synonyms

Disodium 4-nitrophenyl phosphatedisodium p-nitrophenyl phosphatePhosphoric acid, mono(4-nitrophenyl) ester, disodium saltEINECS 224-246-5Phosphoric acid, mono(4-nitrophenyl) ester, sodium salt (1:2)Phosphoric acid, mono(p-nitrophenyl) ester, disodium saltRefChem:589385diSodium 4nitrophenyl phosphatePhosphoric acid, mono(4nitrophenyl) ester, disodium saltPhosphoric acid, mono(pnitrophenyl) ester, disodium saltPhosphoric acid, mono(4nitrophenyl) ester, sodium salt (1:2)224-246-5
Show more names
PNPP4-NPP4-PNPPABTS<PNPP-NA2PNPP, 2NA2-oxazolePNPP di-NAPNP-PHOS DINA
4264-83-9Disodium 4-Nitrophenylphosphate4-nitrophenyl phosphate disodium saltSodium 4-nitrophenyl phosphatePNPP DisodiumC6H4NNa2O6Pdisodium;(4-nitrophenyl) phosphateMFCD00007319

Database identifiers

Properties

Computed structural properties

Topological polar surface area
118 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
238

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Nitrophenols
Physical DescriptionHexahydrate: Solid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
300 °C · >300 °C(lit.)
Density
1.751 at · 1.751 at 20℃
vapor pressure
15 Pa · 15Pa at 20-50℃
storage temp.
-20 °C · -20°C
solubility
2 O: · H2O: 1 tablet/3 mL 25 mM, clear, light yellow
form
tablets
color
white to pale yellow
Water Solubility
Miscible with water. Immiscible with ethanol and acetone.
BRN
5324661 · 5324661
Stability
Stable, but may be light sensitive. Incompatible with strong acids, strong bases, strong oxidizing agents.
InChI
1S/C6H6NO6P.2Na/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;;/h1-4H,(H2,10,11,12);;/q;2*+1/p-2

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.

Warning

H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Phosphoric acid, mono(4-nitrophenyl) ester, disodium salt

REACH registered substance: Disodium 4-nitrophenyl phosphate (EC: 224-246-5)

Phosphoric acid, mono(4-nitrophenyl) ester, disodium salt: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See 4-Nitrophenol.
Hazard Classes and CategoriesAcute Tox. 4 (60%)

Safety data

F
10-21
wgk
3
tsca
TSCA listed
hs_code
29199000
risk_code
36/38-36/37/38-48/22-41-38-21/22
Signal word
Danger
Symbol(GHS)
GHS05,GHS08
hazard_code
Xi,Xn
safety_code
26-36-24/25-23-36/37/39
Storage Class

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhosphoric acid, mono(4-nitrophenyl) ester, sodium salt (1:2): ACTIVE
Applications · 2 items

UsesPNPP, Disodium Salt is a colorimetric alkaline phosphatase soluble substrate, p-Nitrophenyl Phosphate (pNPP) is the substrate of choice for use with alkaline phosphatase in Enzyme Linked Immunosorbant Assay (ELISA) procedures.

General DescriptionExcellent substrate for alkaline phosphatase-based ELISA assays. Produces a yellow soluble end product that can be read at 405 nm to 410 nm. Both kinetic and endpoint determinations can be performed. ε max: ≥9600 cm-1 M-1 at 311 nm in 0.4 M Na2CO3.

Upstream & downstream products

Upstream raw materials

Phosphorus oxitrichloride4-NitrophenolPARAOXONp-Nitrophenyl phosphate di(Tris) saltBis(4-nitrophenyl)phosphoric acid sodium salt

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
广州市尧光科技有限公司

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
CAS
4264-83-9
PubChem CID
77949
DTXSID
DTXSID3063380
UNII
F7VW9D2LUG
EC Number
224-246-5
Nikkaji
J32.923A
InChIKey
KAKKHKRHCKCAGH-UHFFFAOYSA-L
SMILES
[Na+].[Na+].[P](=O)([O-])([O-])Oc1ccc(cc1)[N+](=O)[O-]
LogP
-2.16 at · -2.16 at 22℃ and pH6.7
Surface tension
69.34 mN/m · 69.34mN/m at 1.051g/L and 20℃
CAS DataBase Reference
4264 · 4264-83-9(CAS DataBase Reference)
EPA Substance Registry System
Phosphoric acid, mono(4-nitrophenyl) ester, disodium salt (4264-83-9)
UNSPSC Code
41116158 · 41116158
NACRES
83 · NA.83
Symbol(GHS)
5 · GHS05,GHS08
Signal word
Danger
Hazard statements
290 · H290-H315-H318-H361fd-H373
Precautionary statements
202 · P202-P234-P280-P302+P352-P305+P351+P338-P308+P313
Hazard Codes
Xi,Xn
Risk Statements
36 · 36/38-36/37/38-48/22-41-38-21/22
Safety Statements
26 · 26-36-24/25-23-36/37/39
WGK Germany
3 · 3
F
10 · 10-21
TSCA
TSCA listed
HS Code
29199000 · 29199000
Storage Class
11 · 11 - Combustible Solids
REACH Registrations
Active
11 - Combustible Solids
Hazard statements
H290-H315-H318-H361fd-H373
REACH Registrations
Active
Precautionary statements
P202-P234-P280-P302+P352-P305+P351+P338-P308+P313
13020159086 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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上海贤鼎生物科技有限公司4009209199 · [email protected]
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南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
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