Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(OP(=O)(O)Oc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
MHSVUSZEHNVFKW-UHFFFAOYSA-N- Molecular formula
- C12H9N2O8P
- Average molar mass
- 340.18 g/mol
- Monoisotopic mass
- 340.00965188
Overview
Bis-4-nitrophenyl phosphate is an aryl phosphate. It is functionally related to a 4-nitrophenol.
Names & identifiers
- Preferred name
- Bis(p-nitrophenyl) phosphate
- IUPAC
- bis(4-nitrophenyl) hydrogen phosphate
- English name
- Bis(4-nitrophenyl) phosphate
- Molecular formula
- C12H9N2O8P
- Molecular weight
- 340.18
Names & synonyms
645-15-8Bis(4-nitrophenyl)phosphatebis(p-nitrophenyl)phosphatebis(p-nitrophenyl) phosphatedi-p-nitrophenyl phosphatep-Nitrophenyl monohydrogen phosphatePhosphoric acid, bis(p-nitrophenyl) esterPhenol, p-nitro-, hydrogen phosphate1MF77LEI63NSC-59824DTXSID20870742Bis[4-nitrophenyl]phosphate
Show more names
BNPPdi-p-nitrophenylphosphateDi-4-nitrophenyl phosphatep-nitro-phenohydrogenphosphateDI-P-NITROPHENYLPHOSPHORIC ACIDBis(4-nitrophenyl)phosphate 98%BIS(PARA-NITRO-PHENYL)PHOSPHATE
BNPP-4BpNPPRefChem:120158bis(para-nitrophenol)phosphateDTXCID40203078211-434-7bis(4-nitrophenyl) phosphateBis(4-nitrophenyl) hydrogen phosphate
Database identifiers
- CAS
645-15-8- PubChem CID
- 255
- DTXSID
DTXSID20870742- ChEMBL
CHEMBL1231178- ChEBI
CHEBI:3122- UNII
- 1MF77LEI63
- EC Number
- 211-434-7
- Nikkaji
- J205.923A、J694.749B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Melting point
- 172 · 172-175 °C(lit.)
- Boiling point
- 545.7 · 545.7±60.0 °C(Predicted)
- Density
- 1.614 · 1.614±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Isopropanol (Slightly), Methanol
- pka
- 1.04 · 1.04±0.50(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- almost transparency
- InChI
- InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)
- InChIKey
- MHSVUSZEHNVFKW-UHFFFAOYSA-N
- SMILES
- P(O)(OC1=CC=C([N+]([O-])=O)C=C1)(OC1=CC=C([N+]([O-])=O)C=C1)=O
- CAS DataBase Reference
- 645 · 645-15-8(CAS DataBase Reference)
- FDA UNII
- 1 MF77LEI63 · 1MF77LEI63
- NIST Chemistry Reference
- Phosphoric acid, bis(p-nitrophenyl) ester(645-15-8)
- EPA Substance Registry System
- Bis(p-nitrophenyl) phosphate (645-15-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300
- Precautionary statements
- 301 · P301+P310+P330
- PPE
- 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 8260000 · TB8260000
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- HS Code
- 29199000 · 29199000
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 2 Oral · Acute Tox. 2 Oral
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H300 (95.2%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (95.2%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TB8260000
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29199000
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard statements
- H300
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 2 Oral
- Precautionary statements
- P301+P310+P330
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Uses & manufacturing
General Manufacturing InformationPhosphoric acid, bis(4-nitrophenyl) ester: INACTIVE
Applications
UsesBis(4-nitrophenyl) phosphate(BNPP) has been used as substrate to determine the enzyme activity of root phosphodiesterases of wetland plants. BNPP has been used to study the mechanism of cleavage of BNPP using oxamido-bridged dinuclear copper(II) complexes as catalysts.
UsesInhibitor of enzyme. It is used for Phosphodiesterase Substrate.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
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Additional notes
DefinitionChEBI: Bis-4-nitrophenyl phosphate is an aryl phosphate. It is functionally related to a 4-nitrophenol.
Related reactions
1 records
Linked notes
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