CAS No.68189-42-4,p-Nitrophenyl phosphate di(tris) salt Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	68189-42-4
Name:	p-Nitrophenyl phosphate di(tris) salt

Formula:	C₁₄H₂₈N₃O₁₂P
Molecular Weight:	461.36
Synonyms:	p-Nitrophenyl phosphate di(tris(hydroxymethyl)methylamine) salt;p-Nitrophenyl dihydrogen phosphate, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:2);Phosphoric acid, mono(4-nitrophenyl) ester, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:2);p-Nitrophenyl phosphate di(tris(hydroxymethyl)methylamine);
EINECS:	269-198-6
Boiling Point:	457.8 °C at 760 mmHg
Flash Point:	230.7 °C
Solubility:	0.1 g/mL in water
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	295.81000
LogP:	-1.68830

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Specification

The p-Nitrophenyl phosphate di(tris) salt, with the CAS registry number 68189-42-4, is also known as p-Nitrophenyl phosphate di(tris(hydroxymethyl)methylamine) salt. It belongs to the product categories of Alkaline Phosphatase; Detection Substrates; Enzyme Substrates; Substrates by Enzyme. Its EINECS number is 269-198-6. This chemical's molecular formula is C₁₄H₂₈N₃O₁₂P and formula weight is 461.36. What's more, its systematic name is 4-nitrophenyl dihydrogen phosphate-2-amino-2-(hydroxymethyl)propane-1,3-diol (1:2). The product should sealed and stored in a cool and dry place and be protected from heat and strong oxidizers.

Physical properties of p-Nitrophenyl phosphate di(tris) salt are: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.2; (4)ACD/LogD (pH 7.4): -4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 100.39 Å²; (11)Flash Point: 230.7 °C; (12)Enthalpy of Vaporization: 75.66 kJ/mol; (13)Boiling Point: 457.8 °C at 760 mmHg; (14)Vapour Pressure: 3.55E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(OP(=O)(O)O)cc1.OCC(N)(CO)CO.OCC(N)(CO)CO
(2)InChI: InChI=1S/C6H6NO6P.2C4H11NO3/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;2*5-4(1-6,2-7)3-8/h1-4H,(H2,10,11,12);2*6-8H,1-3,5H2
(3)InChIKey: XXAXKCWOTRABOW-UHFFFAOYSA-N