4-Nitrophenol sodium salt hydrate
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
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 |
