4-Nitrophenol sodium salt hydrate

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Product Information

Molecular Formula:
C6H8NNaO5
Molecular Weight:
161.09 (anhydrous basis)
Description
Antioxidant
Synonyms
Sodium 4-nitrophenolate Dihydrate; 4-Nitrophenol sodium salt dihydrate; sodium; 4-nitrophenolate; dihydrate; 4-Nitrophenoxy sodium dihydrate; sodium p-nitrophenolate dihydrate; 4-Nitrophenol sodium saltdihydrate; 4-Nitrophenol sodium salt dihydrate, PESTANAL(R), analytical standard
IUPAC Name
sodium4-nitrophenolatedihydrate
Canonical SMILES
C1=CC(=CC=C1[N+](=O)[O-])[O-].O.O.[Na+]
InChI
InChI=1S/C6H5NO3.Na.2H2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H2*1H2/q+1/p-1
InChI Key
ZJYUDTPVWWBKPV-UHFFFAOYSA-M
Boiling Point
177-179 °C/3 mmHg(lit.)
Flash Point
194 °F
Purity
99%
Appearance
(wet)
Refractive Index
n20/D 1.542 (lit.)

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
197.03001664 g/mol
Monoisotopic Mass
197.03001664 g/mol
Topological Polar Surface Area
70.9Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
123
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
4
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
EP-0968999-A1 Anilide derivatives and antiarrhythmic agents containing the same 1998-06-30
JP-2000080066-A Anilide derivative and antiarrhythmic agent containing it as active ingredient 1998-06-30
US-6300368-B1 Anilide derivatives and antiarrhythmic agents containing the same 1998-06-30
EP-0570861-A1 Laser apparatus 1992-05-18
EP-0570861-B1 Laser apparatus 1992-05-18
JP-2866547-B2 Laser device 1992-05-18
JP-H06138505-A Laser equipment 1992-05-18
US-5381429-A Laser device with wavelength converter using organic ionic crystal 1992-03-22
EP-0003835-A1 A hydroxy-urea, process for producing the same and a process for producing a phenyl-substituted N-methoxy-N-methyl-urea 1978-02-21
EP-0003835-B1 A hydroxy-urea, process for producing the same and a process for producing a phenyl-substituted n-methoxy-n-methyl-urea 1978-02-21
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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