Tris (4-Nitrophenyl) Phosphate

CAT: 0127-OR1027059-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1027059-01Size:1 g

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CAS Number

3871-20-3

Synonyms

Tris (4-nitrophenyl) phosphate

Purity

98%

Smiles

C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-]

Chemical Information

Tris(4-nitrophenyl) phosphate

CAS Number	3871-20-3
PubChem CID	77473
IUPAC Name	tris(4-nitrophenyl) phosphate
Molecular Formula	C18H12N3O10P
Molecular Weight	461.3
XLogP	4.1
Topological Polar Surface Area	182
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Heavy Atom Count	32
Formal Charge	0
Complexity	617

SMILES

C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H12N3O10P/c22-19(23)13-1-7-16(8-2-13)29-32(28,30-17-9-3-14(4-10-17)20(24)25)31-18-11-5-15(6-12-18)21(26)27/h1-12H

InChIKey

RZSPPBDBWOJRII-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3871-20-3

CID: 77473

Formula: C18H12N3O10P

MW: 461.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	461.3
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	461.02603059
Monoisotopic Mass	461.02603059
Topological Polar Surface Area	182 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	617
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BIN4001-01	4-Nitrophenyl phosphate bis (tris) salt
OR22148	Tris (4-nitrophenyl) methane
OR350395-01	Tris (4-nitrophenyl) amine
BUP16094	Bis (4-nitrophenyl) phosphate
OR1036765	Tris (2,4-dimethylphenyl) phosphate
OR1015390-01	Tris (4-Tert-Butylphenyl) Phosphate
BUP18720-01	Sodium 4-nitrophenyl phosphate hexahydrate
OR80749-01	Bis (4-nitrophenyl) hydrogen phosphate
OR1027393-01	Sodium Bis (4-Nitrophenyl) Phosphate
BIB6135	4-Nitrophenyl phosphate magnesium salt

Catalog	Name
TRC-T886150-10G	Tris(4-nitrophenyl)phosphate
sc-358714	Tris (4-nitrophenyl) phosphate
EN11786-01	4-Nitrophenyl phosphate bis (tris) salt
258014-01	4-Nitrophenyl phosphate bis (tris (hydroxymethyl) amino methane)
233450-01	4-Nitrophenyl phosphate di (tris) salt 99+% (HPLC)
171615-01	4-Nitrophenyl Phosphate Di (TRIS) Salt (pNPP DTRIS SALT)
TRC-T885305-100MG	Tris(4-isopropylphenyl) Phosphate
JH920402	Tris (4-aminophenyl) phosphate
sc-498921A	Tris (4-isopropylphenyl) phosphate
AR-P31404-01	Tris (4-isopropylphenyl) -Phosphate