Bis(p-nitrophenyl) phosphate

BNPP · di-p-nitrophenylphosphate · Di-p-nitrophenyl phosphate · Di-4-nitrophenyl phosphate · BIS(P-NITROPHENYL)PHOSPHATE · BIS(4-NITROPHENYL) PHOSPHATE · p-nitro-phenohydrogenphosphate · DI-P-NITROPHENYLPHOSPHORIC ACID

https://huagongshe.com/en/chemical/255

Bis(p-nitrophenyl) phosphate molecular structure

Identifiers & Physical Properties

CAS No.	645-15-8
Molecular formula	C12H9N2O8P
Average molar mass	340.18 g/mol
Monoisotopic mass	340.00965188 g/mol
SMILES	O=[N+]([O-])c1ccc(OP(=O)(O)Oc2ccc([N+](=O)[O-])cc2)cc1
InChIKey	MHSVUSZEHNVFKW-UHFFFAOYSA-N
PubChem CID	255
ChEMBL	CHEMBL1231178
ChEBI	CHEBI:3122
EC No.	211-434-7
DTXSID	DTXSID20870742

Chemical & Physical Properties

XLogP	1
Topological polar surface area	147
Hydrogen bond donors	1
Hydrogen bond acceptors	8
Rotatable bonds	4
Heavy atoms	23
Formal charge	0
Complexity	434
Melting point	172-175 °C(lit.)
Boiling point	545.7±60.0 °C(Predicted)
Density	1.614±0.06 g/cm3(Predicted)
Storage conditions	Sealed in dry,Room Temperature
Solubility	DMSO (Slightly), Isopropanol (Slightly), Methanolalmost transparency
pKa (acidity coefficient)	1.04±0.50(Predicted)
Physical state	powder to crystal
Color	White to Almost white
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	645-15-8(CAS DataBase Reference)
FDA UNII	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
NACRES	NA.22
GHS pictogram	GHS06
Signal word	Danger
GHS hazard statements	H300
GHS precautionary statements	P301+P310+P330
Personal protective equipment (PPE)	Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard symbols	T
Risk statements (R)	25
Safety statements (S)	45
UN transport number	UN 2811 6.1/PG 3
Water hazard class (WGK)	3
RTECS number	TB8260000
TSCA inventory status	TSCA listed
Hazard class	6.1Acute Tox. 2 Oral
Customs code	29199000
Storage class	6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Limited quantities	5.0 kg (11 lbs) (solid)
Excepted quantities	Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & Regulations

GHS classification	DangerH300 (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 Classes and Categories	Acute Tox. 2 (95.2%)
Personal protective equipment (PPE)	Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Water hazard class (WGK)	3
TSCA inventory status	TSCA listed
RTECS number	TB8260000
UN transport number	UN 2811 6.1/PG 3
Customs code	29199000
Risk statements (R)	25
Signal word	Danger
GHS pictogram	GHS06
Hazard symbols	T
Safety statements (S)	45
Hazard class	6.1Acute Tox. 2 Oral
Storage class	6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
GHS 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)
GHS precautionary statements	P301+P310+P330

Applications & Uses

Uses

Bis(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.

Uses

Inhibitor of enzyme. It is used for Phosphodiesterase Substrate.